%chk=000208268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208268

0 1
S -0.089971 -0.440288 -0.825208
S 3.013388 -0.927298 -2.292604
P 1.989386 -0.466394 -0.759250
O -2.630440 -0.344595 -0.206488
O 2.190302 1.047764 -0.110064
O 2.123530 -1.422274 0.590480
N -2.822520 0.664107 1.796465
N -4.077675 0.482312 1.303862
C -0.482386 0.088688 0.889761
C -1.944310 0.176951 0.911664
C -3.991719 -0.116188 0.108479
C -4.981440 -0.552132 -0.875444
C 3.475200 1.688307 -0.276911
C 3.403856 -2.039879 0.852174
H -0.011650 1.072008 1.140518
H -0.105049 -0.649053 1.640180
H -6.008958 -0.322516 -0.536735
H -4.832917 -0.054241 -1.850337
H -4.925187 -1.640516 -1.055331
H 3.286958 2.688366 0.144344
H 3.753881 1.777959 -1.335696
H 4.247646 1.174235 0.304771
H 3.744403 -2.653118 0.006823
H 3.172959 -2.688216 1.711968
H 4.148112 -1.288790 1.137478


%chk=000208268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208268

0 1
S 0.321479 -1.756182 -1.061278
S 3.555354 -0.397524 -2.258933
P 2.385522 -0.863920 -0.628207
O -2.897970 -0.723790 -0.039673
O 2.116674 0.398580 0.542435
O 2.928932 -2.062307 0.500934
N -1.545950 1.045588 0.439902
N -2.849794 1.552761 0.073428
C -0.544849 -1.284011 0.591858
C -1.611016 -0.283401 0.361372
C -3.611399 0.493660 -0.199889
C -5.035638 0.442698 -0.622296
C 1.832675 1.786097 0.086628
C 4.307480 -1.921387 1.036019
H 0.231220 -0.861492 1.248249
H -0.935962 -2.223088 1.008140
H -5.421856 1.469845 -0.702390
H -5.141039 -0.058390 -1.600446
H -5.647382 -0.114497 0.108984
H 2.200160 2.428870 0.901084
H 0.743475 1.908624 -0.035913
H 2.377547 2.007510 -0.849692
H 5.039594 -1.861547 0.210171
H 4.467889 -2.837940 1.622228
H 4.380253 -1.029556 1.682183


