I was trying to do a calculation with ORCA by adding some additional basis functions to the atoms. However, my output file ended up with an error "[file orca_main/maininp2.cpp, line 770]: Error: Number of NGauss expected in AddNewGTOs". I have attached herewith the input file. Kindly please help me to solve this error.
! B3LYP D3 opt freq tightSCF noautostart miniprint nopop
%basis
NewGTO H
S 3
1 34.0613410 0.60251978E-02
2 5.1235746 0.45021094E-01
3 1.1646626 0.20189726
S 1
1 0.32723041 1.0000000
S 1
1 0.10307241 1.0000000
P 1
1 0.8000000 1.0000000
P 1
1 0.95774129632E-01 1.0000000
NewGTO O
S 6
1 27032.3826310 0.21726302465E-03
2 4052.3871392 0.16838662199E-02
3 922.32722710 0.87395616265E-02
4 261.24070989 0.35239968808E-01
5 85.354641351 0.11153519115
6 31.035035245 0.25588953961
S 2
1 12.260860728 0.39768730901
2 4.9987076005 0.24627849430
S 1
1 1.1703108158 1.0000000
S 1
1 0.46474740994 1.0000000
S 1
1 0.18504536357 1.0000000
S 1
1 0.70288026270E-01 1.0000000
P 4
1 63.274954801 0.60685103418E-02
2 14.627049379 0.41912575824E-01
3 4.4501223456 0.16153841088
4 1.5275799647 0.35706951311
P 1
1 0.52935117943 .44794207502
P 1
1 0.17478421270 .24446069663
P 1
1 0.51112745706E-01 1.0000000
D 1
1 2.31400000 1.0000000
D 1
1 0.64500000 1.0000000
D 1
1 0.14696477366 1.0000000
F 1
1 1.42800000 1.0000000
$END
end
%maxcore 2000
%pal nprocs 8 end
* xyz 0 1
O 0.00000000 0.00000000 0.12274546
H -0.00000000 0.78549772 -0.49098186
H -0.00000000 -0.78549772 -0.49098186
*