%chk=000291331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291331

0 1
S -2.960306 -0.508962 -2.020406
S 1.568227 0.227837 -0.521977
S -3.044131 -5.497591 1.799882
S 7.819301 -0.486222 -0.351090
O -0.637888 0.186137 -0.836424
C -1.962320 3.573007 1.245563
C -2.911451 2.729481 0.442428
C -0.513879 3.192995 1.168159
C -2.492922 1.592382 -0.276158
C -0.112593 2.054593 0.450685
C -1.064616 1.189121 -0.272223
C -3.445274 0.866295 -1.007527
C 1.248017 1.696925 0.404169
C -4.266647 3.106978 0.419602
C 0.451358 3.968847 1.823404
C -4.784912 1.241733 -1.038552
C 2.211174 2.470293 1.053159
C -5.193813 2.370410 -0.315953
C 1.802444 3.604813 1.758546
C -2.952193 -1.860135 -0.883617
C 3.328764 0.075850 -0.393058
C -4.161947 -2.370602 -0.401444
C 3.883035 -0.636425 0.669499
C -1.731628 -2.449126 -0.554897
C 4.132423 0.590688 -1.414066
C -4.148205 -3.495250 0.425385
C 5.268719 -0.838537 0.720086
C -1.716207 -3.581665 0.269929
C 5.514321 0.390046 -1.370588
C -2.921210 -4.092640 0.751616
C 6.070163 -0.323680 -0.299340
C -1.364963 -6.121852 2.006730
C 8.264726 -1.581506 1.010856
H -2.073748 4.640116 0.934830
H -2.280698 3.549872 2.316905
H -4.596048 3.982497 0.977193
H 0.159213 4.853990 2.382534
H -5.511274 0.671297 -1.619398
H 3.267196 2.201680 1.014780
H -6.241702 2.672634 -0.330702
H 2.547370 4.217727 2.269018
H -5.109432 -1.901172 -0.666916
H 3.248496 -1.037766 1.460622
H -0.790992 -2.023601 -0.926649
H 3.688459 1.142984 -2.244194
H -5.086143 -3.900059 0.805747
H 5.695172 -1.392723 1.552637
H -0.761345 -4.037221 0.522804
H 6.144932 0.785557 -2.167349
H -0.711373 -5.397479 2.505780
H -0.911575 -6.416545 1.053268
H -1.428274 -7.016732 2.642560
H 7.779946 -2.561134 0.931093
H 8.033713 -1.144128 1.988353
H 9.352139 -1.737333 0.957407


%chk=000291331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291331

0 1
S -4.143768 -0.805142 -1.461645
S 1.146479 0.091973 -1.228106
S 0.412325 -4.067892 1.838634
S 7.027572 -1.823663 0.831335
O -1.452957 0.580243 -1.747792
C -2.207562 3.873369 0.678756
C -3.345247 2.937940 0.314726
C -0.819228 3.269658 0.651224
C -3.097052 1.704609 -0.363208
C -0.568779 2.094745 -0.119286
C -1.694572 1.406904 -0.809645
C -4.213317 0.852528 -0.655514
C 0.772043 1.585424 -0.205802
C -4.666905 3.338568 0.619264
C 0.232253 3.912524 1.336748
C -5.527276 1.271691 -0.343103
C 1.810278 2.242134 0.495382
C -5.758871 2.520222 0.272335
C 1.541556 3.393477 1.262364
C -2.827304 -1.690813 -0.530454
C 2.813202 -0.376693 -0.558109
C -2.787197 -1.675574 0.883644
C 2.911229 -1.145149 0.624110
C -1.886320 -2.451957 -1.253987
C 3.982802 -0.079155 -1.297968
C -1.792679 -2.403246 1.566675
C 4.170178 -1.597357 1.080083
C -0.905530 -3.204304 -0.570360
C 5.241554 -0.532582 -0.850398
C -0.845519 -3.173273 0.841612
C 5.342647 -1.291051 0.345948
C 1.442170 -4.920510 0.521228
C 6.722130 -2.715384 2.453337
H -2.225021 4.731384 -0.029108
H -2.402317 4.315651 1.674231
H -4.834553 4.293185 1.131742
H 0.027640 4.815821 1.922824
H -6.363363 0.599528 -0.561236
H 2.831166 1.854706 0.441940
H -6.782605 2.830597 0.507063
H 2.361727 3.887145 1.795253
H -3.524328 -1.096708 1.450107
H 2.007586 -1.398589 1.189199
H -1.894448 -2.431525 -2.347491
H 3.908702 0.506101 -2.220485
H -1.761284 -2.379943 2.662000
H 4.214189 -2.189551 1.999305
H -0.179710 -3.775621 -1.156296
H 6.141736 -0.295390 -1.428571
H 1.932450 -4.178235 -0.127720
H 0.821028 -5.612556 -0.068441
H 2.205891 -5.491999 1.071027
H 6.085233 -3.600511 2.300431
H 6.274954 -2.034283 3.194006
H 7.716593 -3.034770 2.800889


