%chk=000276787.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276787

0 1
S 5.924733 -0.221655 -0.002950
O 6.248941 -1.037989 -1.155994
O 6.680999 0.979155 0.299497
O -0.797179 -0.726831 -1.045096
N 0.144445 1.122411 0.019162
N -2.154599 1.107853 -0.490407
N 6.136147 -1.250917 1.361383
N -4.498445 1.271387 -0.548706
N -3.415775 -0.728054 0.379020
N -6.833959 1.445814 -0.658680
N -4.674450 -2.470565 1.314238
C 4.247704 0.146036 -0.003658
C 1.516835 0.747541 -0.004172
C 3.783011 1.293988 0.651024
C 3.340673 -0.694259 -0.661894
C 2.427073 1.604807 0.659340
C 1.978675 -0.405537 -0.666221
C -0.920350 0.361170 -0.545966
C -3.402117 0.502551 -0.220287
C -5.732322 0.705780 -0.269243
C -4.670487 -1.252626 0.654935
C -5.860392 -0.563915 0.336945
H 4.493623 1.961674 1.154733
H 3.702271 -1.586163 -1.189128
H 2.081744 2.499146 1.171879
H 1.277819 -1.076574 -1.176022
H -0.087904 1.963591 0.558180
H -2.183570 2.077995 -0.826913
H 6.386078 -2.222696 1.193840
H 6.679132 -0.899495 2.146407
H -6.829247 -0.989986 0.548307
H -6.707273 2.382275 -1.013104
H -7.753152 1.193164 -0.344464
H -5.515958 -3.019209 1.343895
H -3.802526 -2.975866 1.410719


%chk=000276787-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276787

0 1
S 6.112778 -0.111633 -0.214039
O 6.358310 -1.286552 -1.316046
O 6.830617 1.351149 -0.283108
O -0.845005 -1.177413 -0.310670
N 0.142285 0.895132 0.247159
N -2.158490 0.782181 -0.020973
N 6.592867 -0.826324 1.420648
N -4.400240 1.268449 -0.274312
N -3.713755 -0.987916 0.363262
N -6.644594 1.853574 -0.516159
N -5.258119 -2.684441 0.722883
C 4.270419 0.165721 -0.062720
C 1.519240 0.597502 0.132156
C 3.824809 1.414012 0.401964
C 3.397001 -0.867243 -0.437540
C 2.438570 1.624959 0.494600
C 2.008204 -0.655403 -0.337593
C -0.954656 0.044383 -0.047579
C -3.483242 0.296573 0.021202
C -5.717015 0.873400 -0.226169
C -5.040088 -1.365657 0.388490
C -6.092476 -0.458282 0.097677
H 4.541911 2.200482 0.656192
H 3.791759 -1.814027 -0.819696
H 2.065247 2.594783 0.845914
H 1.300249 -1.440883 -0.605196
H -0.077745 1.813431 0.639805
H -2.131820 1.792267 -0.185756
H 6.954676 -1.780099 1.252282
H 7.296528 -0.195187 1.839660
H -7.140944 -0.767062 0.122543
H -6.303662 2.781492 -0.755717
H -7.641248 1.660023 -0.520013
H -6.191562 -3.080603 0.773231
H -4.440608 -3.266789 0.894219


