%chk=000116401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116401

0 1
S 7.068151 -0.930158 -0.034305
N -9.450266 0.507664 -0.064231
N 9.338291 0.787177 -0.002711
C -1.908718 0.368401 0.015637
C -0.655085 -0.516636 -0.001846
C -3.190624 -0.475368 0.007998
C 0.626478 0.327633 0.005398
C -4.443860 0.410176 0.024645
C 1.879827 -0.557823 -0.012131
C -5.726376 -0.432825 0.015785
C 3.160327 0.287620 -0.004386
C -6.976179 0.455150 0.028453
C 4.413766 -0.602341 -0.021811
C -8.259650 -0.390799 0.018600
C 5.676284 0.250746 -0.012811
C 8.396988 0.118311 -0.015084
H -1.895083 1.023723 0.907885
H -1.901664 1.048959 -0.857756
H -0.670022 -1.171580 -0.894473
H -0.663252 -1.197278 0.871341
H -3.198746 -1.155953 0.881083
H -3.204774 -1.130160 -0.884735
H 0.632681 1.008125 -0.868118
H 0.639474 0.982936 0.897825
H -4.430167 1.066097 0.916379
H -4.436006 1.090560 -0.849158
H 1.864085 -1.212733 -0.905070
H 1.870531 -1.238739 0.861195
H -5.735105 -1.113042 0.889119
H -5.738447 -1.087078 -0.877813
H 3.172907 0.942128 0.889020
H 3.166609 0.967815 -0.878486
H -6.963063 1.120385 0.912478
H -6.977454 1.130526 -0.852022
H 4.388097 -1.257020 -0.918346
H 4.393674 -1.283952 0.854559
H -8.279890 -1.064272 0.902265
H -8.273965 -1.044707 -0.882788
H 5.728679 0.893150 0.886690
H 5.723727 0.919340 -0.893324
H -10.305582 -0.036514 -0.007932
H -9.463099 1.160258 0.713284


%chk=000116401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116401

0 1
S 7.305034 -0.949167 -0.029552
N -9.565854 0.534430 0.023340
N 9.489544 1.020123 -0.005541
C -1.924413 0.345471 0.009120
C -0.649799 -0.528121 -0.001307
C -3.231696 -0.478560 0.006203
C 0.655690 0.298877 0.001670
C -4.504958 0.396993 0.015680
C 1.930211 -0.574793 -0.009261
C -5.813819 -0.424821 0.013754
C 3.232781 0.258202 -0.005244
C -7.081924 0.457299 0.016995
C 4.503932 -0.627944 -0.017307
C -8.389178 -0.360773 0.022324
C 5.775367 0.230375 -0.010859
C 8.582538 0.234621 -0.015518
H -1.909560 1.004877 0.902206
H -1.914598 1.018728 -0.873549
H -0.664699 -1.187059 -0.894612
H -0.659799 -1.201283 0.881418
H -3.242911 -1.151597 0.889172
H -3.247237 -1.138061 -0.886778
H 0.664122 0.971975 -0.880985
H 0.669327 0.957483 0.895170
H -4.488955 1.057109 0.908297
H -4.494510 1.069550 -0.867243
H 1.917058 -1.231829 -0.903486
H 1.921597 -1.247440 0.873341
H -5.825262 -1.096136 0.898275
H -5.828698 -1.085846 -0.878171
H 3.245704 0.913159 0.890032
H 3.240616 0.929798 -0.888133
H -7.063205 1.120385 0.908808
H -7.091353 1.121028 -0.869098
H 4.490650 -1.276084 -0.915521
H 4.494568 -1.295061 0.866924
H -8.360244 -1.073146 0.885052
H -8.430437 -0.977092 -0.897016
H 5.862177 0.844080 0.899659
H 5.856777 0.865701 -0.906931
H -10.461577 0.058480 -0.123489
H -9.599508 1.163971 0.832461


