%chk=000211442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211442

0 1
S -5.158312 0.367015 -0.269238
O 4.388795 0.295602 0.353385
O 3.874265 -1.558082 -0.882258
O -5.860492 1.127179 -1.607710
O -5.997471 0.714588 0.842761
O -4.981646 -1.008073 -0.640637
N -0.083480 0.278444 0.662078
N 2.543979 -0.935034 0.943067
C 0.332407 -0.840536 -0.247102
C 1.101907 1.118232 1.038446
C 1.371217 -1.726470 0.468983
C 2.136099 0.235542 1.767657
C -1.153374 1.118904 0.031195
C -2.500156 0.389749 0.204210
C -3.660429 1.262123 -0.272448
C 3.599634 -0.791516 0.019095
C 5.652231 0.436593 -0.374152
C 5.395487 0.982978 -1.762587
H 0.739835 -0.485993 -1.218681
H -0.568253 -1.451914 -0.479122
H 0.756068 1.917193 1.729884
H 1.577932 1.620393 0.168899
H 0.918942 -2.206632 1.367654
H 1.718897 -2.541543 -0.207058
H 3.033436 0.834492 2.042884
H 1.699772 -0.167201 2.711866
H -0.965370 1.338654 -1.041281
H -1.196315 2.100636 0.552160
H -2.624556 0.114764 1.274846
H -2.480170 -0.574733 -0.351125
H -3.445459 1.665674 -1.289737
H -3.733645 2.176353 0.358547
H 6.183749 1.146267 0.286066
H 6.159660 -0.544607 -0.390761
H -6.787061 0.929831 -1.792808
H 6.332431 1.219981 -2.279994
H 4.856075 0.246527 -2.379971
H 4.785870 1.893819 -1.735012


%chk=000211442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211442

0 1
S -5.504494 0.029517 -0.032586
O 4.689498 0.200326 0.458512
O 4.096432 -1.723941 -0.765931
O -6.572438 1.248206 -0.961216
O -6.026468 -0.091795 1.494296
O -5.304210 -1.313758 -0.911332
N -0.205406 0.486840 0.421022
N 2.491405 -0.485077 0.416754
C 0.205152 -0.591467 -0.517700
C 0.931287 1.408228 0.688153
C 1.383878 -1.392970 0.066119
C 2.119139 0.636927 1.297588
C -1.425201 1.205444 -0.009429
C -2.698189 0.341361 0.190261
C -3.943736 1.152879 -0.159204
C 3.769939 -0.754205 -0.026290
C 6.093432 0.019728 -0.007403
C 6.314794 0.694153 -1.364335
H 0.502100 -0.170862 -1.511856
H -0.640522 -1.282258 -0.679487
H 0.598628 2.181727 1.404924
H 1.273319 1.922935 -0.245438
H 1.044060 -1.925881 0.976821
H 1.759169 -2.130820 -0.660747
H 2.988264 1.297174 1.426493
H 1.817351 0.240791 2.288496
H -1.364996 1.539641 -1.077605
H -1.511755 2.118844 0.610343
H -2.727300 0.003899 1.241742
H -2.656714 -0.557098 -0.452288
H -3.980851 1.496908 -1.205206
H -4.177910 1.971847 0.538826
H 6.692184 0.489043 0.790390
H 6.309990 -1.061441 -0.060575
H -7.514242 0.912985 -0.941371
H 7.380958 0.620475 -1.649848
H 5.714343 0.197759 -2.145039
H 6.041612 1.763137 -1.323855


