%chk=000270991.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270991

0 1
S -6.383583 0.174027 -1.509820
S -7.993535 -0.048401 1.101348
O 3.776771 -0.330833 -2.806263
O 2.373353 2.627161 1.379161
O 2.228874 0.846010 2.783887
O -6.138264 1.380392 -2.239149
O -7.431438 -0.742518 -1.890637
N 4.624983 -0.550998 -0.612788
N 4.286820 -0.098526 0.643663
N 1.333485 0.116707 -0.981974
N -4.975774 -0.819470 -1.513281
N 0.375546 0.915834 -1.084442
N -5.800542 1.257992 0.877166
C 2.663894 0.766672 -0.855096
C 3.203604 0.642095 0.567451
C 3.685709 -0.099582 -1.637137
C 5.756687 -1.436144 -0.767116
C 2.560118 1.310984 1.724453
C 6.463548 -1.886338 0.363408
C 6.140711 -1.831197 -2.060231
C -3.633238 -0.384644 -1.424519
C -0.950138 0.389167 -1.201553
C 7.559151 -2.732054 0.186445
C 7.239682 -2.679808 -2.211084
C -2.615894 -1.367085 -1.350390
C -3.297062 0.985819 -1.401122
C -1.287316 -0.980227 -1.238050
C -1.966144 1.366723 -1.289943
C 7.951203 -3.131364 -1.095837
C 1.619039 3.475186 2.308322
C -6.644566 0.514232 0.176672
C 0.141899 3.177459 2.170194
C -7.407615 0.748622 2.498128
C -6.226602 1.396061 2.197739
H 2.714532 1.837070 -1.199061
H 6.163630 -1.581605 1.367597
H 5.593507 -1.489252 -2.942798
H -5.103262 -1.833648 -1.657068
H -2.867409 -2.425130 -1.378528
H -4.066810 1.761362 -1.483503
H -0.497965 -1.735588 -1.176966
H -1.699309 2.427096 -1.274843
H 8.111126 -3.083468 1.058327
H 7.540956 -2.989774 -3.212004
H 8.806284 -3.791544 -1.223921
H 1.902575 4.478390 1.939616
H 2.001264 3.306145 3.330313
H -0.471946 3.943528 2.657404
H -0.158733 3.128347 1.113102
H -0.117690 2.207524 2.619797
H -7.917661 0.722197 3.449006
H -5.616953 1.986297 2.877923


%chk=000270991-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270991

0 1
S -6.070118 -0.821072 -1.556988
S -8.909516 0.451033 -0.794573
O 3.136805 -0.048261 -2.668113
O 2.371655 2.095787 2.170825
O 4.191792 1.009777 3.182017
O -5.227846 -0.533600 -2.912913
O -7.051590 -2.111263 -1.382505
N 4.644181 -0.417654 -0.835784
N 4.729804 -0.039556 0.519083
N 1.397434 0.257380 -0.122617
N -4.908903 -0.761430 0.062736
N 0.435225 1.029768 -0.534646
N -6.701965 1.903622 -1.198727
C 2.731340 0.888761 -0.361936
C 3.668165 0.698617 0.811552
C 3.479276 0.101965 -1.475788
C 5.691428 -1.229717 -1.387329
C 3.483002 1.244236 2.177296
C 6.771963 -1.615620 -0.553086
C 5.643679 -1.641308 -2.744252
C -3.565261 -0.379059 -0.141194
C -0.879813 0.480689 -0.373750
C 7.802971 -2.416209 -1.083685
C 6.687235 -2.443139 -3.254549
C -2.491184 -1.260188 0.203715
C -3.277671 0.926031 -0.637836
C -1.162669 -0.828319 0.113892
C -1.943619 1.340730 -0.759284
C 7.769033 -2.835125 -2.434604
C 1.999758 2.708507 3.484232
C -7.152708 0.675357 -1.188900
C 1.108838 1.758002 4.288813
C -8.969132 2.241660 -0.654250
C -7.727309 2.810939 -0.897956
H 2.613790 1.948287 -0.661994
H 6.789224 -1.289570 0.489281
H 4.810691 -1.340166 -3.382227
H -5.021889 -1.728088 0.428761
H -2.718780 -2.275292 0.552240
H -4.102661 1.589731 -0.916926
H -0.330975 -1.484214 0.387671
H -1.692020 2.333485 -1.145077
H 8.635449 -2.713326 -0.436723
H 6.648337 -2.760569 -4.302214
H 8.573725 -3.457186 -2.840570
H 1.471149 3.630443 3.195129
H 2.927590 2.952647 4.031052
H 0.768189 2.263051 5.211645
H 0.219042 1.465173 3.705461
H 1.663439 0.850045 4.578770
H -9.905837 2.737004 -0.407052
H -7.503240 3.877110 -0.874124


