%chk=000191683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191683

1 1
S 3.409584 -0.420786 2.428700
O -3.545945 -0.258464 0.095821
O 3.399160 0.423526 -1.981985
O 3.835914 -1.168865 -0.441212
O 0.054650 1.544152 -0.737225
O -2.398388 1.376801 -0.983538
N 1.245212 0.098210 0.513427
N -1.323419 -1.237064 1.182957
N -1.447651 -2.125203 1.847232
C 2.508224 0.817043 0.168433
C 3.308655 1.093536 1.435220
C 3.322812 -0.121564 -0.745499
C 0.035391 0.497911 0.051272
C -1.212197 -0.171843 0.381184
C -2.433859 0.393555 -0.236091
C -4.849522 0.241316 -0.484312
C -5.844552 -0.716815 0.103502
H 2.277464 1.778878 -0.385609
H 2.828374 1.875511 2.065496
H 4.316148 1.501043 1.198493
H 1.358504 -0.693500 1.178906
H -4.960053 1.286885 -0.147722
H -4.744554 0.183233 -1.581752
H 4.232131 -1.167076 1.641298
H -6.866955 -0.474522 -0.237980
H -5.654770 -1.760879 -0.188886
H -5.865499 -0.687877 1.203616
H 3.954820 -0.117847 -2.627550
H -0.966279 1.849606 -1.132396


%chk=000191683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191683

1 1
S 3.495114 -0.704347 2.389815
O -3.550456 -0.277485 0.150363
O 4.182188 0.550917 -1.433871
O 2.306081 -0.837982 -1.504923
O 0.043550 1.514180 -0.927069
O -2.395603 1.206353 -1.235799
N 1.212085 0.409740 0.707924
N -1.274319 -0.882714 1.459108
N -1.386491 -1.673080 2.314221
C 2.505339 0.930678 0.231224
C 3.534411 0.908566 1.392175
C 2.954748 0.092842 -0.993471
C 0.051853 0.643023 0.084403
C -1.213372 0.016323 0.469288
C -2.448892 0.361950 -0.276473
C -4.876499 0.009607 -0.566654
C -5.938435 -0.807695 0.146355
H 2.381284 1.970993 -0.120270
H 3.296533 1.688606 2.131788
H 4.546163 1.078300 1.000023
H 1.321559 -0.311165 1.448958
H -5.038511 1.098908 -0.501950
H -4.728777 -0.281293 -1.620520
H 4.123840 -1.507114 1.450951
H -6.910898 -0.627974 -0.346525
H -5.724900 -1.887670 0.090430
H -6.035215 -0.513077 1.204158
H 4.488649 0.064972 -2.247343
H -0.947632 1.604536 -1.312517


