%chk=000293817.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293817

0 1
S 6.476016 0.245220 0.332414
O -1.498822 -0.911156 -0.500884
O 6.646717 1.039240 1.530647
O 7.233341 -0.970686 0.115251
O -0.392825 0.809338 0.591768
O -7.710312 -0.408231 -0.279365
O -7.211432 1.366836 0.852802
N 0.720463 -0.962176 -0.505687
N 6.876444 1.284950 -0.977706
N -6.911643 0.365481 0.223612
C 4.799946 -0.088146 0.101318
C 2.092282 -0.630731 -0.273974
C 4.408831 -1.219012 -0.625744
C 3.832693 0.762480 0.646989
C 3.059031 -1.501830 -0.821788
C 2.474641 0.501958 0.463669
C -2.800524 -0.487830 -0.252852
C -0.362676 -0.209360 -0.045766
C -5.477329 0.067389 0.057731
C -3.743378 -1.366245 -0.824573
C -3.164407 0.654143 0.466370
C -5.092137 -1.080138 -0.663935
C -4.522183 0.930264 0.620507
H 5.168526 -1.896544 -1.037735
H 4.137080 1.638760 1.234308
H 2.767999 -2.384455 -1.387420
H 1.726060 1.175269 0.895013
H 0.516451 -1.814842 -1.043704
H -3.407047 -2.244202 -1.375812
H -2.410713 1.320741 0.901473
H 7.120483 2.250597 -0.767683
H 7.506240 0.932918 -1.695522
H -5.862224 -1.734937 -1.091051
H -4.851191 1.816736 1.178229


%chk=000293817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293817

0 1
S 6.642623 0.220823 0.310535
O -1.523445 -0.858939 -0.495273
O 6.817741 1.154735 1.633194
O 7.401879 -1.205688 0.100084
O -0.400747 0.919350 0.638046
O -7.869401 -0.550461 -0.332919
O -7.394078 1.306345 0.906360
N 0.713819 -0.853865 -0.468348
N 7.103443 1.267573 -1.134653
N -7.039308 0.271695 0.219403
C 4.807305 -0.080123 0.066496
C 2.084657 -0.550242 -0.260809
C 4.412707 -1.217643 -0.655844
C 3.896679 0.820878 0.638358
C 3.035235 -1.450121 -0.817102
C 2.516802 0.586261 0.475263
C -2.866419 -0.478599 -0.255427
C -0.382696 -0.136924 -0.027274
C -5.591368 0.010093 0.053517
C -3.805798 -1.358293 -0.847563
C -3.280383 0.650817 0.494619
C -5.179800 -1.116395 -0.694771
C -4.660261 0.889466 0.645360
H 5.160259 -1.909817 -1.055095
H 4.255583 1.675588 1.220353
H 2.698059 -2.333120 -1.372670
H 1.782675 1.266675 0.909776
H 0.492400 -1.697247 -1.002864
H -3.442488 -2.217716 -1.417369
H -2.546450 1.319934 0.943185
H 7.441077 2.175971 -0.774251
H 7.817966 0.756356 -1.679870
H -5.931549 -1.774227 -1.137428
H -5.022319 1.748658 1.215882


