%chk=000274534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274534

0 1
S 4.819632 1.449277 1.102389
S -4.860918 1.375846 1.012403
O 5.429199 1.452310 2.419759
O 4.934601 2.619141 0.270415
O -4.978213 2.543991 0.178338
O -5.494818 1.369366 2.318212
N 2.327049 1.037630 0.427788
N -2.350258 1.002224 0.384286
N 3.140666 1.198273 1.511690
N -3.186209 1.150366 1.452843
C -0.001064 0.839394 -0.579745
C -0.024623 1.246016 1.622059
C 1.048473 1.049149 0.533509
C -1.074194 1.033098 0.513760
C 0.015105 -0.557138 -1.179801
C 0.000401 1.935167 -1.631961
C -0.040720 2.645808 2.215426
C -0.026247 0.155866 2.682004
C 5.276392 0.041899 0.236896
C -5.280008 -0.038182 0.138727
C 4.921056 -0.107752 -1.108430
C -6.017731 -1.051396 0.766132
C 6.017268 -0.960260 0.878119
C -4.897127 -0.182462 -1.199582
C 5.306153 -1.249186 -1.813644
C -6.374889 -2.198103 0.060985
C 6.404907 -2.101285 0.179841
C -5.251622 -1.329581 -1.911645
C 6.051032 -2.253700 -1.174359
C -5.993216 -2.345196 -1.286262
C 6.475950 -3.475680 -1.916876
C -6.385570 -3.573427 -2.036357
H 0.910751 -0.710883 -1.793897
H 0.012886 -1.333224 -0.404865
H -0.865606 -0.723762 -1.811869
H -0.882602 1.865164 -2.279020
H -0.010196 2.935565 -1.180031
H 0.895054 1.877243 -2.264025
H -0.930307 2.817023 2.831979
H 0.834099 2.830054 2.849117
H -0.038815 3.416540 1.431606
H -0.015010 -0.845011 2.230063
H 0.851205 0.224646 3.335238
H -0.916116 0.211934 3.319467
H 2.759172 1.459729 2.431449
H -2.825870 1.417447 2.379499
H 4.338100 0.672144 -1.612704
H -6.319803 -0.938214 1.814879
H 6.297731 -0.842891 1.932391
H -4.316556 0.606095 -1.693020
H 5.028616 -1.356402 -2.860318
H -6.951095 -2.980404 0.551187
H 6.983429 -2.874956 0.680881
H -4.952795 -1.432542 -2.952867
H 6.174751 -4.394400 -1.391741
H 6.054719 -3.532496 -2.929642
H 7.571494 -3.512459 -2.023310
H -7.478176 -3.626530 -2.163897
H -5.944084 -3.624063 -3.040810
H -6.080937 -4.487517 -1.505161


%chk=000274534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274534

0 1
S 4.932856 1.535299 1.007497
S -4.984812 1.462333 0.946054
O 5.528166 1.734331 2.510182
O 4.937336 2.732300 -0.092663
O -4.996203 2.670935 -0.141444
O -5.611817 1.632515 2.439179
N 2.324964 0.984629 0.271814
N -2.359401 0.956870 0.245075
N 3.123383 0.931658 1.401825
N -3.170608 0.891838 1.365313
C -0.011662 1.004620 -0.776201
C -0.024753 1.037917 1.510634
C 1.028133 1.026231 0.363195
C -1.064412 1.015159 0.351516
C -0.000815 -0.273707 -1.647063
C -0.013058 2.277285 -1.659580
C -0.035978 2.317460 2.389376
C -0.023117 -0.244869 2.383381
C 5.668373 0.004498 0.218315
C -5.670856 -0.075837 0.127132
C 5.686456 -0.070525 -1.181898
C -6.191058 -1.089787 0.948185
C 6.195220 -0.988905 1.060045
C -5.660150 -0.136281 -1.273860
C 6.266360 -1.219298 -1.766479
C -6.727751 -2.229897 0.314883
C 6.769700 -2.122922 0.449416
C -6.202432 -1.291496 -1.881389
C 6.811337 -2.256461 -0.965932
C -6.739049 -2.349169 -1.102309
C 7.444388 -3.480933 -1.600902
C -7.331938 -3.580594 -1.762108
H 0.901232 -0.284128 -2.284361
H 0.000928 -1.188912 -1.029024
H -0.896820 -0.293296 -2.292617
H -0.909336 2.283371 -2.304957
H -0.021446 3.198473 -1.050795
H 0.890732 2.292781 -2.294220
H -0.926969 2.337397 3.045536
H 0.846320 2.345136 3.056906
H -0.036095 3.236306 1.778220
H -0.015042 -1.156698 1.761654
H 0.870114 -0.266506 3.034135
H -0.923212 -0.275694 3.024217
H 2.847214 1.509095 2.228127
H -2.913985 1.473467 2.194810
H 5.276547 0.744240 -1.786466
H -6.190243 -0.979461 2.037175
H 6.170995 -0.867350 2.147569
H -5.256944 0.693837 -1.861806
H 6.294972 -1.307880 -2.858204
H -7.145391 -3.037019 0.927927
H 7.193439 -2.913997 1.078966
H -6.207989 -1.369042 -2.974317
H 7.010085 -4.413078 -1.195390
H 7.306479 -3.489631 -2.695063
H 8.531596 -3.514862 -1.398802
H -8.422404 -3.639089 -1.584531
H -7.169931 -3.576116 -2.852989
H -6.887148 -4.507239 -1.355391


