Hello gaussian users
I'm trying to calculate a NMR spectrum of a macrocyclic compound, I was able to optimize the molecule but not able to get the spin-spin couplings. The program shows this error:
106 H Isotropic = 28.2493 Anisotropy = 8.3352
XX= 28.8971 YX= -1.3654 ZX= 0.6789
XY= -1.3277 YY= 32.4546 ZY= -1.7382
XZ= 1.4704 YZ= -3.9946 ZZ= 23.3963
Eigenvalues: 22.4954 28.4465 33.8061
107 O Isotropic = 32.3323 Anisotropy = 473.0531
XX= -71.6945 YX= 86.2507 ZX= 56.7365
XY= 88.3018 YY= 218.9029 ZY= 194.1551
XZ= 55.0096 YZ= 198.2823 ZZ= -50.2116
Eigenvalues: -154.8386 -95.8657 347.7010
108 H Isotropic = 26.7398 Anisotropy = 7.6103
XX= 23.3517 YX= 1.8322 ZX= -0.1150
XY= -0.6803 YY= 31.7631 ZY= 0.3345
XZ= -0.0183 YZ= 0.2180 ZZ= 25.1045
Eigenvalues: 23.3084 25.0976 31.8133
Current density tensor (au):
XX= -0.0209 YX= -0.0195 ZX= 0.0000
XY= -0.0218 YY= 0.0351 ZY= 0.0000
XZ= 0.0000 YZ= 0.0000 ZZ= 0.0119
Bad dimensions in Pcck.
I don't know what is happening with the system, also, I didn't find any information about the error message. Any help will be appreciated. Thanks.
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