%chk=000187451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187451

0 1
S 3.466706 -0.513679 -0.437857
P 1.565798 -0.340943 -0.247506
N 0.908303 1.280070 -0.455937
N 0.569457 -1.296927 -1.328496
N 1.013692 -0.895002 1.340899
C -1.116231 -0.142370 0.198440
C -0.573929 1.242576 -0.260363
C -0.862914 -1.209697 -0.906468
C -0.427906 -0.573934 1.531704
C -2.636348 -0.042373 0.474542
C 1.605013 2.311515 0.355799
C -3.464514 0.437603 -0.712945
H -1.013996 1.499291 -1.256964
H -0.920475 2.031283 0.439854
H -1.252772 -2.193915 -0.567558
H -1.442562 -0.936284 -1.823373
H -0.586595 0.209258 2.304377
H -0.917163 -1.498639 1.922867
H -2.809627 0.635570 1.335027
H -3.011187 -1.034742 0.800625
H 0.876533 -2.281771 -1.446726
H 1.591042 -0.671532 2.164812
H 2.690197 2.308404 0.120653
H 1.480720 2.232939 1.446818
H 1.237042 3.307086 0.044686
H -3.249052 1.480612 -0.973660
H -3.285215 -0.166257 -1.612056
H -4.537515 0.376657 -0.491194


%chk=000187451-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187451

0 1
S 3.685146 -0.471068 -0.064982
P 1.627288 -0.357370 0.093360
N 0.893037 1.241371 0.315231
N 0.656624 -0.950343 -1.251154
N 0.848986 -1.225401 1.415281
C -1.158419 -0.224342 0.303319
C -0.571378 1.203542 0.042667
C -0.767844 -1.176542 -0.878928
C -0.558396 -0.789653 1.636520
C -2.704384 -0.163001 0.460999
C 1.595360 2.455906 -0.122592
C -3.469521 0.606789 -0.638534
H -0.781727 1.494295 -1.012482
H -1.066727 1.941799 0.707161
H -0.957120 -2.223894 -0.554770
H -1.399225 -0.963353 -1.762363
H -0.635877 0.003574 2.412345
H -1.154304 -1.663182 1.967458
H -2.932102 0.298673 1.443565
H -3.087411 -1.202540 0.511726
H 1.093138 -1.633324 -1.876807
H 1.419227 -1.397186 2.248819
H 2.679752 2.326110 0.036058
H 1.251693 3.315742 0.483518
H 1.423350 2.691375 -1.196971
H -3.183977 1.673493 -0.667100
H -3.291651 0.182539 -1.643315
H -4.557035 0.560791 -0.448028


