%chk=000216557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216557

0 1
S -3.878545 1.170590 0.873613
S 0.877226 3.079398 1.018281
O 0.229945 -3.335420 -0.923577
O 1.056287 -3.310501 1.181253
O 4.342784 3.223375 -0.671336
O 3.432523 4.376037 0.924067
N -2.166797 -0.624378 0.062035
N -1.331461 1.651105 0.649102
N 0.652540 1.154406 -0.752167
N 3.414939 3.495740 0.076356
C -3.468522 -1.354651 0.000074
C -0.914168 -1.305210 -0.353465
C -4.599068 -0.456585 0.496748
C -2.210898 0.689395 0.445431
C -1.042439 -2.830482 -0.444740
C -0.044794 1.780229 0.235315
C 1.241856 -3.531274 0.010625
C 2.210730 2.734541 -0.033370
C 1.912121 1.695804 -0.903430
C 2.448246 -4.023818 -0.699603
H -3.398776 -2.272582 0.630640
H -3.651580 -1.677710 -1.052087
H -0.107032 -1.056400 0.384130
H -0.570844 -0.891587 -1.338700
H -5.396569 -0.334779 -0.261710
H -5.080826 -0.861387 1.408218
H -1.732193 -3.172411 -1.237351
H -1.284262 -3.299382 0.527579
H 2.583233 1.297851 -1.666726
H 3.286488 -3.315459 -0.582409
H 2.280032 -4.161522 -1.780844
H 2.783623 -4.988433 -0.284150


%chk=000216557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216557

0 1
S -3.940620 1.043492 1.150378
S 1.265339 2.465439 1.442566
O 0.369427 -3.259898 -0.892468
O 0.832286 -3.420170 1.390512
O 4.114231 3.171975 -1.304521
O 4.047381 3.536984 0.967216
N -2.178392 -0.609886 0.011772
N -1.242576 1.398165 1.035656
N 0.219523 1.582927 -0.899689
N 3.520570 3.125736 -0.148268
C -3.494014 -1.132085 -0.441619
C -0.894222 -1.220411 -0.408766
C -4.543911 -0.662179 0.584288
C -2.220172 0.599012 0.674105
C -0.983037 -2.751350 -0.557769
C -0.076280 1.691526 0.425450
C 1.209350 -3.552361 0.206863
C 2.198325 2.582070 -0.100593
C 1.474431 2.080227 -1.181743
C 2.565223 -4.005790 -0.275109
H -3.475452 -2.232863 -0.487623
H -3.724240 -0.739576 -1.452538
H -0.151190 -0.993801 0.375708
H -0.537264 -0.754020 -1.345881
H -5.539475 -0.550017 0.132594
H -4.590736 -1.319463 1.465640
H -1.599899 -3.061310 -1.416296
H -1.336116 -3.224434 0.376809
H 1.855461 2.065163 -2.203390
H 3.189882 -3.121358 -0.497963
H 2.477620 -4.596413 -1.200202
H 3.062343 -4.590830 0.512684


