%chk=000186633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186633

0 1
S 1.996933 2.501751 0.402079
O 4.070052 -2.268877 -0.196176
N 3.439742 -0.071870 0.168150
C -0.801861 -0.416523 0.026414
C -0.191854 0.853698 0.177487
C -2.251988 -0.525177 -0.021373
C -3.038438 0.645403 0.091854
C 1.223786 0.942506 0.204009
C -1.033330 2.025853 0.301505
C 0.030364 -1.564959 -0.076495
C 2.024362 -0.201254 0.111525
C -2.386313 1.924305 0.260252
C 1.401983 -1.473547 -0.032688
C -2.911856 -1.774952 -0.180665
C -4.455438 0.552985 0.043653
C -4.289750 -1.846533 -0.225374
C -5.071361 -0.672316 -0.112607
C 4.386145 -1.117969 0.021426
C 2.073463 3.131652 -1.294805
C 5.809538 -0.654311 0.157912
H -0.559240 2.999223 0.445159
H -0.438661 -2.547091 -0.192036
H -3.018054 2.807994 0.357407
H 2.021503 -2.375818 -0.112508
H -2.314532 -2.683540 -0.267846
H -5.048229 1.462366 0.132301
H -4.788797 -2.806867 -0.347614
H -6.156359 -0.748501 -0.150013
H 3.801167 0.877981 0.350212
H 2.549063 4.119493 -1.265215
H 1.072118 3.240686 -1.727283
H 2.659299 2.477001 -1.947579
H 6.086811 0.090506 -0.600035
H 6.494133 -1.510633 0.030740
H 6.019100 -0.224163 1.147125


%chk=000186633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186633

0 1
S 2.106291 2.542736 0.424328
O 4.215456 -2.346882 -0.129283
N 3.468039 -0.133397 0.167954
C -0.811174 -0.462145 0.020859
C -0.173690 0.822932 0.201526
C -2.272786 -0.546418 -0.030086
C -3.053718 0.657812 0.110153
C 1.258505 0.901574 0.226273
C -1.000873 2.002174 0.348310
C 0.026185 -1.610507 -0.100434
C 2.059448 -0.264684 0.113623
C -2.378785 1.919770 0.305147
C 1.418036 -1.532871 -0.051323
C -2.973577 -1.778944 -0.215629
C -4.480421 0.593151 0.062251
C -4.373952 -1.822037 -0.260827
C -5.138751 -0.628119 -0.120751
C 4.454608 -1.117959 0.059412
C 2.046664 3.131746 -1.380249
C 5.874806 -0.567750 0.192973
H -0.504133 2.962216 0.521642
H -0.421449 -2.599413 -0.234307
H -2.988767 2.822950 0.426911
H 2.043542 -2.422292 -0.143195
H -2.418832 -2.715194 -0.327524
H -5.054013 1.521203 0.172619
H -4.883850 -2.780937 -0.404977
H -6.232633 -0.670228 -0.156292
H 3.776400 0.837810 0.325231
H 2.538016 4.116975 -1.404326
H 0.996455 3.220633 -1.695408
H 2.581598 2.419018 -2.025065
H 6.088494 0.186969 -0.586401
H 6.585084 -1.399966 0.086652
H 6.027277 -0.091423 1.179111


