%chk=000212761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212761

0 1
S 2.280588 -2.743786 0.360595
O 1.040047 -1.043174 -1.343728
O 0.181851 1.779741 0.526262
N -1.136620 -0.046328 0.277889
N -3.173807 -2.361232 -1.591520
C 1.379032 -0.190054 -0.230465
C -1.394052 -1.448925 -0.154124
C 0.097747 0.604468 0.204668
C 2.546331 0.712158 -0.616925
C -1.942543 -1.506236 -1.599719
C 1.791850 -1.140614 0.838314
C -2.304687 0.703418 0.713544
C 2.843792 1.881234 0.093526
C 3.378532 0.316595 -1.677406
C 1.889712 -0.983750 2.188091
C -2.598622 1.955009 0.145609
C -3.140749 0.154740 1.702129
C -4.393698 -1.540571 -1.332540
C -3.314447 -3.108934 -2.876093
C 2.365432 -2.175216 2.853458
C 3.942300 2.665285 -0.275669
C 4.473423 1.101196 -2.042642
C 2.619085 -3.208172 2.003449
C 4.755477 2.280839 -1.344227
C -3.739344 2.644309 0.561643
C -4.279626 0.856709 2.101811
C -4.584753 2.097018 1.532225
H -0.459137 -2.049215 -0.083442
H -2.109822 -1.928221 0.555258
H -2.120736 -0.485986 -1.999253
H -1.165742 -1.961625 -2.251854
H 2.210121 2.198385 0.928832
H 3.180593 -0.617128 -2.206815
H 1.646908 -0.079178 2.731433
H 0.904372 -0.505857 -2.158106
H -1.923258 2.397576 -0.587121
H -2.900469 -0.803757 2.159970
H -4.262734 -0.974681 -0.394484
H -4.649090 -0.825115 -2.127446
H -5.250536 -2.217281 -1.186483
H -4.206212 -3.754159 -2.816842
H -3.405288 -2.480395 -3.773346
H -2.445593 -3.775609 -2.999467
H 2.496464 -2.206755 3.926931
H 4.160152 3.578592 0.276064
H 5.112308 0.790730 -2.867292
H 2.976953 -4.195338 2.239157
H 5.608782 2.893064 -1.630372
H -3.967201 3.617542 0.127799
H -4.929550 0.435446 2.868035
H -5.472736 2.639039 1.849891


%chk=000212761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212761

0 1
S 2.327106 -2.722073 -0.018932
O 0.885301 -0.711648 -1.717484
O 0.233473 2.066686 0.277941
N -1.173145 0.215424 0.192531
N -2.925249 -2.679380 -1.535023
C 1.283966 -0.066217 -0.441509
C -1.508727 -1.203927 -0.122648
C 0.073013 0.831092 0.045563
C 2.581163 0.756183 -0.650773
C -2.290198 -1.345290 -1.453379
C 1.564794 -1.182067 0.547096
C -2.291760 1.037966 0.632714
C 3.028089 1.702647 0.306160
C 3.396174 0.488896 -1.779919
C 1.436550 -1.165838 1.927825
C -2.656897 2.203955 -0.082021
C -3.034218 0.652643 1.774773
C -4.236377 -2.739901 -0.860903
C -2.968122 -3.242002 -2.897943
C 1.923070 -2.363188 2.570113
C 4.246112 2.388287 0.115411
C 4.615689 1.178331 -1.969819
C 2.428023 -3.295074 1.678886
C 5.043393 2.136418 -1.025494
C -3.760087 2.974006 0.342560
C -4.142769 1.423500 2.191746
C -4.510885 2.585917 1.477137
H -0.596274 -1.808171 -0.178448
H -2.117714 -1.607027 0.705840
H -3.038777 -0.520260 -1.544906
H -1.570187 -1.236895 -2.282430
H 2.420670 1.917109 1.187838
H 3.101609 -0.285431 -2.496336
H 1.001156 -0.323023 2.471553
H 0.921619 -0.017408 -2.425801
H -2.067704 2.512650 -0.949765
H -2.736901 -0.233458 2.346633
H -4.154550 -2.358959 0.172531
H -5.024618 -2.138033 -1.381210
H -4.581933 -3.788252 -0.808841
H -3.341075 -4.281887 -2.856129
H -3.628846 -2.671773 -3.599980
H -1.949847 -3.264047 -3.323887
H 1.890104 -2.525083 3.650207
H 4.571735 3.123396 0.859856
H 5.231870 0.957087 -2.848608
H 2.835811 -4.284990 1.876764
H 5.988416 2.672216 -1.169200
H -4.033728 3.877647 -0.213178
H -4.709512 1.119836 3.078951
H -5.368007 3.185213 1.803141


