%chk=000186724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186724

0 1
S 5.296725 -0.388810 -0.749473
O -0.993628 2.260198 -0.509466
O -1.153754 -2.315826 0.298111
N -0.637868 -0.049222 -0.140075
N 6.397297 0.580436 1.695238
C -2.858459 0.729246 -0.050510
C -2.905064 -0.597808 0.182002
C -4.035490 1.628748 -0.093858
C -4.139284 -1.373147 0.450249
C -5.261377 0.923715 0.519352
C -5.378952 -0.541357 0.066507
C -1.433581 1.170404 -0.273133
C -1.515900 -1.183486 0.143376
C 0.791038 -0.121007 -0.262546
C 1.508894 0.972499 -0.789102
C 1.475373 -1.284611 0.145107
C 2.896283 0.898953 -0.903043
C 2.862537 -1.349599 0.024093
C 3.564505 -0.261365 -0.501985
C 5.916744 0.194410 0.719227
H -3.827224 2.581202 0.439303
H -4.240494 1.920998 -1.148112
H -4.130896 -2.337131 -0.102245
H -4.175099 -1.652103 1.527276
H -5.195005 0.965676 1.624650
H -6.180971 1.475269 0.246461
H -5.522010 -0.579452 -1.031579
H -6.283765 -0.998961 0.509546
H 0.993986 1.886311 -1.102034
H 0.933004 -2.143461 0.552836
H 3.449834 1.750931 -1.306526
H 3.389702 -2.252548 0.343252


%chk=000186724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186724

0 1
S 5.432285 -0.486252 -0.725052
O -0.973176 2.305260 -0.308123
O -1.220375 -2.398896 0.116544
N -0.642663 -0.074173 -0.132335
N 6.444668 0.957360 1.641320
C -2.855333 0.741424 0.008056
C -2.926646 -0.616209 0.133957
C -4.031389 1.672495 0.053523
C -4.196130 -1.397272 0.309542
C -5.276122 0.920502 0.598928
C -5.416833 -0.495537 -0.020591
C -1.422187 1.142671 -0.167536
C -1.544148 -1.188731 0.052339
C 0.783135 -0.160674 -0.256146
C 1.501373 0.849339 -0.950993
C 1.482209 -1.257671 0.315189
C 2.903712 0.763877 -1.065801
C 2.883410 -1.343623 0.187482
C 3.585034 -0.330209 -0.495740
C 5.997710 0.378181 0.691066
H -3.793731 2.559506 0.670764
H -4.228579 2.064705 -0.965412
H -4.179800 -2.303124 -0.325580
H -4.257626 -1.767859 1.353502
H -5.190904 0.827166 1.699598
H -6.186154 1.513425 0.395059
H -5.512506 -0.401711 -1.120397
H -6.342505 -0.976361 0.344295
H 0.975320 1.702769 -1.380959
H 0.938332 -2.045377 0.838369
H 3.456280 1.544286 -1.597315
H 3.420440 -2.190187 0.625347


