%chk=000213033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213033

0 1
S 3.458140 -2.228074 -0.203809
S -1.777795 -3.180217 -0.496926
O 2.717604 0.487341 0.116742
O -1.686454 -3.489519 -2.151910
O -4.280570 2.012229 1.259444
O 3.386092 -3.678123 -0.273067
O 4.254804 -1.505628 -1.170480
O -1.478639 -4.455210 0.097215
O -3.088292 -2.578837 -0.296781
N -2.093509 -0.149018 -0.195109
N 4.103338 -1.867529 1.345243
C -0.812238 -0.622153 -0.182731
C -0.559173 -2.032839 -0.296412
C 1.849821 -1.632967 -0.160756
C 1.574045 -0.248430 -0.030394
C 0.767526 -2.493308 -0.277431
C 0.291850 0.270786 -0.052463
C -2.412969 1.302109 -0.111368
C -3.878117 1.483189 0.017214
C 2.653909 1.894755 0.247221
C -4.970901 1.260622 -0.781618
C -6.128475 1.665041 -0.022549
C 2.121072 2.477923 1.399165
C 3.266572 2.622595 -0.776149
C -5.672837 2.111101 1.190559
C 2.212635 3.867744 1.521372
C 3.346732 4.009619 -0.625381
C 2.818907 4.628667 0.514613
H 0.963618 -3.581710 -0.357880
H 0.133933 1.341345 0.022072
H -2.926144 -0.794270 -0.231369
H -2.040171 1.823179 -1.030694
H -1.893160 1.767827 0.766360
H 4.426753 -2.638993 1.923370
H 4.742125 -1.081431 1.432603
H -4.990826 0.859498 -1.778251
H -1.946013 -4.378874 -2.436508
H 1.668803 1.866065 2.177047
H 3.678067 2.108681 -1.646477
H -7.143539 1.610337 -0.368769
H -6.108985 2.508103 2.080547
H 1.813406 4.358470 2.409334
H 3.823793 4.609718 -1.401186
H 2.885561 5.710984 0.621043


%chk=000213033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213033

0 1
S 3.594452 -2.403430 -0.175318
S -1.853277 -3.315713 -0.339115
O 2.794939 0.480444 0.169025
O -1.906508 -3.328715 -2.198960
O -4.540503 1.314308 1.218927
O 3.433141 -4.019046 -0.074449
O 4.402729 -1.737036 -1.417312
O -1.393280 -4.778261 0.165152
O -3.267378 -2.688981 0.181927
N -2.071183 -0.168692 -0.054363
N 4.293196 -1.875166 1.438585
C -0.792651 -0.663921 -0.063039
C -0.502939 -2.072099 -0.152799
C 1.867766 -1.700585 -0.073006
C 1.647435 -0.305252 0.037040
C 0.800245 -2.591185 -0.164363
C 0.342084 0.206918 0.038720
C -2.378967 1.274260 0.016067
C -3.851975 1.526418 0.000568
C 2.688237 1.907696 0.255174
C -4.752523 1.942734 -0.966486
C -6.060143 1.996087 -0.344187
C 2.350038 2.508340 1.485413
C 3.031527 2.663301 -0.882432
C -5.892553 1.607267 0.973117
C 2.346146 3.919662 1.568637
C 3.025068 4.073812 -0.782577
C 2.680372 4.702034 0.437579
H 0.989742 -3.670048 -0.231518
H 0.194254 1.284526 0.128638
H -2.852605 -0.843285 -0.005352
H -1.925217 1.798059 -0.848035
H -1.940524 1.711298 0.937908
H 4.981397 -2.587790 1.734072
H 4.689892 -0.927313 1.330754
H -4.514054 2.176261 -2.002500
H -2.514737 -4.075241 -2.476129
H 2.111614 1.884972 2.353206
H 3.308595 2.150554 -1.808284
H -6.997071 2.282308 -0.817023
H -6.561355 1.484328 1.820060
H 2.091464 4.404305 2.517074
H 3.294761 4.677962 -1.655144
H 2.680649 5.794703 0.509443


