%chk=000205779.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205779

0 1
S 0.547317 -3.081357 -0.531184
O 0.990896 1.844701 0.314069
N -1.095344 0.974820 0.158625
N -1.559627 -1.348295 -0.245204
C 0.774709 -0.540003 -0.098813
C 2.122496 -1.061914 -0.183766
C -0.194458 -1.534466 -0.270024
C 3.322869 -0.218224 -0.038102
C 0.361300 0.827548 0.135771
C -1.980933 -0.096308 -0.036951
C 2.149761 -2.406681 -0.411277
C -3.435545 0.193518 0.003187
C 3.898844 0.379130 -1.169098
C 3.889615 -0.021348 1.229856
C -4.276542 -0.612061 0.785979
C -3.967377 1.253443 -0.748895
C 5.043032 1.169049 -1.028175
C 5.033837 0.770107 1.361704
C 5.611550 1.364149 0.234839
C -5.647011 -0.340688 0.831118
C -5.338180 1.514446 -0.699344
C -6.177087 0.721610 0.092677
H 3.018938 -3.034554 -0.515229
H -1.460930 1.915503 0.341811
H 3.450298 0.232705 -2.150177
H 3.433817 -0.477704 2.106848
H -3.859559 -1.451695 1.346734
H -3.321200 1.861207 -1.382190
H 5.488894 1.637313 -1.903937
H 5.472461 0.928076 2.345417
H 6.500572 1.982703 0.341519
H -6.302280 -0.963481 1.439823
H -5.755571 2.334833 -1.282551
H -7.246361 0.930218 0.129240


%chk=000205779-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205779

0 1
S 0.493081 -3.002421 0.689362
O 0.919469 2.027271 -0.298286
N -1.177547 1.033791 -0.159651
N -1.603229 -1.256629 0.266592
C 0.744720 -0.397587 0.126271
C 2.107671 -0.890412 0.274452
C -0.244562 -1.397953 0.318266
C 3.383494 -0.132887 0.145146
C 0.259450 0.961964 -0.123166
C -2.063529 -0.021905 0.019091
C 2.117682 -2.249924 0.573397
C -3.524609 0.219505 -0.060045
C 3.596744 0.813128 -0.892614
C 4.449251 -0.401754 1.048412
C -4.403023 -0.860675 0.230190
C -4.079573 1.480230 -0.415073
C 4.842926 1.460371 -1.027109
C 5.695431 0.246506 0.913189
C 5.898916 1.180187 -0.128824
C -5.798315 -0.682891 0.171983
C -5.478093 1.654740 -0.472328
C -6.343195 0.575927 -0.178110
H 2.992721 -2.886234 0.694255
H -1.529379 1.982278 -0.319214
H 2.785771 1.049230 -1.585931
H 4.288248 -1.101281 1.877190
H -3.961385 -1.825018 0.496823
H -3.444237 2.339042 -0.664503
H 4.987381 2.187914 -1.833380
H 6.500277 0.031652 1.625115
H 6.863760 1.688750 -0.234447
H -6.462523 -1.523409 0.399527
H -5.891799 2.630187 -0.749220
H -7.428793 0.714610 -0.223060


