Entering Link 1 = C:\G03W\l1.exe PID= 5008.

Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004, Gaussian, Inc.

All Rights Reserved.

This is the Gaussian(R) 03 program. It is based on the

the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),

the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),

the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),

the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),

the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),

the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon

University), and the Gaussian 82(TM) system (copyright 1983,

Carnegie Mellon University). Gaussian is a federally registered

trademark of Gaussian, Inc.

This software contains proprietary and confidential information,

including trade secrets, belonging to Gaussian, Inc.

This software is provided under written license and may be

used, copied, transmitted, or stored only in accord with that

written license.

The following legend is applicable only to US Government

contracts under FAR:

RESTRICTED RIGHTS LEGEND

Use, reproduction and disclosure by the US Government is

subject to restrictions as set forth in subparagraphs (a)

and (c) of the Commercial Computer Software - Restricted

Rights clause in FAR 52.227-19.

Gaussian, Inc.

340 Quinnipiac St., Bldg. 40, Wallingford CT 06492

---------------------------------------------------------------

Warning -- This program may not be used in any manner that

competes with the business of Gaussian, Inc. or will provide

assistance to any competitor of Gaussian, Inc. The licensee

of this program is prohibited from giving any competitor of

Gaussian, Inc. access to this program. By using this program,

the user acknowledges that Gaussian, Inc. is engaged in the

business of creating and licensing software in the field of

computational chemistry and represents and warrants to the

licensee that it is not a competitor of Gaussian, Inc. and that

it will not use this program in any manner prohibited above.

---------------------------------------------------------------

Cite this work as:

Gaussian 03, Revision D.01,

M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,

M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven,

K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi,

V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega,

G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota,

R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao,

H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross,

V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,

O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,

P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg,

V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain,

O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari,

J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford,

J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz,

I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham,

C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill,

B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople,

Gaussian, Inc., Wallingford CT, 2004.

******************************************

Gaussian 03: IA32W-G03RevD.01 13-Oct-2005

23-Oct-2017

******************************************

%chk=C:\Users\USUARIO\Desktop\EJERCICIOS GAUSSIAN\metano.chk

--------------------------------

# opt hf/3-21g geom=connectivity

--------------------------------

1/18=20,38=1,57=2/1,3;

2/9=110,17=6,18=5,40=1/2;

3/5=5,11=9,16=1,25=1,30=1/1,2,3;

4//1;

5/5=2,38=5/2;

6/7=2,8=2,9=2,10=2,28=1/1;

7//1,2,3,16;

1/18=20/3(3);

2/9=110/2;

6/7=2,8=2,9=2,10=2,19=2,28=1/1;

99//99;

2/9=110/2;

3/5=5,11=9,16=1,25=1,30=1/1,2,3;

4/5=5,16=3/1;

5/5=2,38=5/2;

7//1,2,3,16;

1/18=20/3(-5);

2/9=110/2;

6/7=2,8=2,9=2,10=2,19=2,28=1/1;

99/9=1/99;

-------------------

Title Card Required

-------------------

Symbolic Z-matrix:

Charge = 0 Multiplicity = 1

C -1.56687 -1.0479 0.

H -1.21021 -2.05671 0.

H -1.21019 -0.54351 0.87365

H -1.21019 -0.54351 -0.87365

H -2.63687 -1.04789 0.

GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

Berny optimization.

Initialization pass.

----------------------------

! Initial Parameters !

! (Angstroms and Degrees) !

-------------------------- --------------------------

! Name Definition Value Derivative Info. !

--------------------------------------------------------------------------------

! R1 R(1,2) 1.07 estimate D2E/DX2 !

! R2 R(1,3) 1.07 estimate D2E/DX2 !

! R3 R(1,4) 1.07 estimate D2E/DX2 !

! R4 R(1,5) 1.07 estimate D2E/DX2 !

! A1 A(2,1,3) 109.4712 estimate D2E/DX2 !

! A2 A(2,1,4) 109.4712 estimate D2E/DX2 !

! A3 A(2,1,5) 109.4712 estimate D2E/DX2 !

! A4 A(3,1,4) 109.4713 estimate D2E/DX2 !

! A5 A(3,1,5) 109.4712 estimate D2E/DX2 !

! A6 A(4,1,5) 109.4712 estimate D2E/DX2 !

--------------------------------------------------------------------------------

Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07

Number of steps in this run= 20 maximum allowed number of steps= 100.

GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

Input orientation:

---------------------------------------------------------------------

Center Atomic Atomic Coordinates (Angstroms)

Number Number Type X Y Z

---------------------------------------------------------------------

1 6 0 -1.566866 -1.047904 0.000000

2 1 0 -1.210212 -2.056714 0.000000

3 1 0 -1.210193 -0.543506 0.873652

4 1 0 -1.210193 -0.543506 -0.873652

5 1 0 -2.636866 -1.047891 0.000000

---------------------------------------------------------------------

Distance matrix (angstroms):

1 2 3 4 5

1 C 0.000000

2 H 1.070000 0.000000

3 H 1.070000 1.747302 0.000000

4 H 1.070000 1.747302 1.747303 0.000000

5 H 1.070000 1.747303 1.747303 1.747303 0.000000

Stoichiometry CH4

Framework group T[O(C),4C3(H)]

Deg. of freedom 1

Full point group T

Largest Abelian subgroup D2 NOp 4

Largest concise Abelian subgroup D2 NOp 4

Standard orientation:

---------------------------------------------------------------------

Center Atomic Atomic Coordinates (Angstroms)

Number Number Type X Y Z

---------------------------------------------------------------------

1 6 0 0.000000 0.000000 0.000000

2 1 0 0.617765 0.617765 0.617765

3 1 0 -0.617765 -0.617765 0.617765

4 1 0 -0.617765 0.617765 -0.617765

5 1 0 0.617765 -0.617765 -0.617765

---------------------------------------------------------------------

Rotational constants (GHZ): 164.2463793 164.2463793 164.2463793

Standard basis: 3-21G (6D, 7F)

There are 5 symmetry adapted basis functions of A symmetry.

There are 4 symmetry adapted basis functions of B1 symmetry.

There are 4 symmetry adapted basis functions of B2 symmetry.

There are 4 symmetry adapted basis functions of B3 symmetry.

Integral buffers will be 262144 words long.

Raffenetti 1 integral format.

Two-electron integral symmetry is turned on.

17 basis functions, 27 primitive gaussians, 17 cartesian basis functions

5 alpha electrons 5 beta electrons

nuclear repulsion energy 13.6865185705 Hartrees.

NAtoms= 5 NActive= 5 NUniq= 2 SFac= 3.00D+00 NAtFMM= 80 NAOKFM=F Big=F