%chk=000187491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187491

0 1
S -6.343073 0.140129 -0.129553
O 1.543786 1.148605 1.819697
O 0.212604 -0.140453 -1.801080
O -6.682454 -1.511854 0.019750
O -6.953860 0.768039 1.012022
O -6.797316 0.449447 -1.464084
N -0.445470 0.075279 0.394512
C 4.250258 -0.694257 -0.761380
C 4.735520 -0.097762 0.436910
C 1.954794 -0.038776 -0.196351
C 2.859288 -0.642337 -1.055944
C 2.472950 0.553458 0.997023
C 3.814044 0.536563 1.318418
C -1.852277 0.097174 0.210152
C 0.527677 -0.024762 -0.631071
C 5.177078 -1.330452 -1.650351
C 6.137960 -0.150869 0.723511
C -4.646119 0.129035 -0.002065
C -2.463301 -0.016776 -1.055107
C -2.651224 0.233582 1.373645
C -3.849947 -0.001193 -1.150248
C -4.035167 0.246567 1.255606
C 6.514120 -1.366441 -1.350788
C 6.998239 -0.768475 -0.147983
H 2.493653 -1.086782 -1.992096
H 4.185570 0.998272 2.228641
H 4.794817 -1.782184 -2.566715
H 6.502222 0.307335 1.641632
H -0.117506 0.197642 1.365995
H -1.849749 -0.116194 -1.959515
H -2.191972 0.327388 2.355012
H -4.322854 -0.084937 -2.137311
H -4.654245 0.356587 2.155191
H 7.226586 -1.847313 -2.019722
H 8.067968 -0.813616 0.061789
H 1.958772 1.583214 2.608353
H -7.499273 -1.816083 -0.397194


%chk=000187491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187491

0 1
S -6.479850 0.283860 -0.196846
O 1.441927 0.602261 2.064653
O 0.254538 -0.726947 -1.817282
O -6.815865 -1.459073 0.369716
O -7.064814 1.299521 0.920638
O -6.945299 0.408517 -1.742032
N -0.446676 0.060891 0.279774
C 4.333550 -0.620502 -0.807444
C 4.768804 -0.171373 0.499810
C 1.962564 -0.243433 -0.171825
C 2.937767 -0.640597 -1.098435
C 2.421524 0.199314 1.122412
C 3.777009 0.234279 1.447516
C -1.846126 0.082549 0.105332
C 0.527965 -0.325331 -0.642964
C 5.316107 -1.030892 -1.769076
C 6.170409 -0.149071 0.797431
C -4.627111 0.190296 -0.073273
C -2.494417 -0.294485 -1.107321
C -2.625020 0.518603 1.218443
C -3.898969 -0.242437 -1.193159
C -4.025980 0.571953 1.138873
C 6.675483 -0.999366 -1.453215
C 7.103370 -0.554994 -0.160261
H 2.579394 -0.975063 -2.078658
H 4.097767 0.575982 2.441012
H 4.981434 -1.369789 -2.756170
H 6.503392 0.190327 1.785235
H -0.081619 0.366136 1.196092
H -1.890229 -0.622848 -1.953888
H -2.126371 0.812867 2.148993
H -4.413932 -0.517836 -2.118736
H -4.634859 0.913380 1.981279
H 7.421202 -1.313575 -2.190781
H 8.173148 -0.535185 0.074796
H 1.849339 0.894913 2.914943
H -7.807456 -1.596050 0.333720


