%chk=000187992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187992

0 1
S 0.729319 2.459353 -0.721497
O 0.706513 -2.521323 0.055774
O -5.175183 -0.077839 0.010154
N 2.523261 0.430934 -0.733894
N 0.398495 -0.210513 -0.244937
C 2.633995 -1.011879 -0.341164
C 3.447596 -1.218340 0.943967
C 4.768182 -0.441153 0.883521
C 3.742972 1.270641 -0.678757
C 4.517931 1.050375 0.628923
C 1.157955 -1.426610 -0.138818
C 1.232022 0.905233 -0.541428
C -1.041875 -0.135564 -0.148535
C -1.822859 -1.025855 -0.915515
C -1.638686 0.800612 0.707612
C -3.206113 -0.973706 -0.825929
C -3.032048 0.864791 0.796735
C -3.800322 -0.018967 0.029090
C -5.904614 0.867854 0.829341
H 3.080912 -1.582012 -1.195312
H 3.636139 -2.301056 1.090214
H 2.863004 -0.892378 1.829100
H 5.421491 -0.858456 0.092311
H 5.321001 -0.574157 1.834203
H 3.463951 2.345781 -0.798859
H 4.368213 0.996681 -1.560081
H 3.958418 1.492435 1.478224
H 5.478336 1.599291 0.584248
H -1.342077 -1.758775 -1.565374
H -1.027861 1.484909 1.300372
H -3.840513 -1.647168 -1.399169
H -3.492587 1.597652 1.451454
H -5.676491 0.709335 1.887059
H -6.945674 0.599016 0.606660
H -5.688300 1.892159 0.512108


%chk=000187992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187992

0 1
S 0.745833 2.596065 -0.761365
O 0.691479 -2.477516 0.190061
O -5.274256 -0.141257 -0.027582
N 2.524148 0.507305 -0.494008
N 0.383710 -0.141987 -0.230470
C 2.606817 -0.940937 -0.236702
C 3.511249 -1.239888 0.985134
C 4.874192 -0.528334 0.798717
C 3.755266 1.296761 -0.609565
C 4.685770 0.996374 0.591814
C 1.136831 -1.332698 -0.059461
C 1.234486 0.988773 -0.493043
C -1.055461 -0.100884 -0.157954
C -1.812889 -1.036636 -0.905877
C -1.710725 0.839007 0.665175
C -3.214867 -1.025391 -0.833310
C -3.120151 0.863927 0.733960
C -3.874393 -0.071022 -0.017907
C -6.007048 0.827378 0.791376
H 3.017927 -1.464545 -1.125908
H 3.629420 -2.333247 1.084857
H 3.015630 -0.871744 1.903577
H 5.400948 -0.959892 -0.077735
H 5.515643 -0.714621 1.679647
H 3.463899 2.360237 -0.654276
H 4.265314 1.038955 -1.560634
H 4.248364 1.441959 1.506087
H 5.662161 1.486173 0.419172
H -1.304619 -1.775109 -1.531961
H -1.123655 1.561156 1.238098
H -3.818399 -1.739664 -1.400402
H -3.608555 1.607258 1.370222
H -5.767344 0.709175 1.866038
H -7.069557 0.599754 0.621740
H -5.792665 1.866416 0.474285


