%chk=000257072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257072

0 1
S 0.225158 0.115052 0.825749
O -0.729172 -2.220693 1.333556
O -1.859773 -2.829567 -0.493813
O 2.485497 -1.679361 -1.584156
N 2.152459 -2.278090 0.576627
C -1.108958 -0.484235 -0.280614
C 1.777944 0.086820 -0.120258
C 2.814545 0.781507 0.762193
C -0.790168 -0.419410 -1.780479
C -2.356212 0.304857 0.064799
C 4.148510 0.948253 0.017677
C -1.294966 -1.949139 0.111795
C 5.195692 1.638665 0.901796
C -0.584961 0.990771 -2.315842
C 2.156673 -1.347212 -0.454856
C -3.617057 -0.302463 -0.077055
C -2.284253 1.643568 0.475228
C 6.522215 1.811045 0.165987
C -4.780615 0.408371 0.220524
C -3.454701 2.350499 0.773542
C -4.703124 1.736445 0.653248
H 1.653877 0.652808 -1.085188
H 2.440047 1.779479 1.075306
H 2.979893 0.213569 1.701193
H 0.094866 -1.049517 -2.024093
H -1.633398 -0.901350 -2.331496
H 4.527489 -0.040220 -0.313513
H 3.997257 1.529954 -0.912417
H 4.820930 2.627272 1.232304
H 5.356562 1.050137 1.826647
H -0.447950 0.972227 -3.405470
H -1.446559 1.639053 -2.108780
H 0.304783 1.473715 -1.887817
H -3.700772 -1.332930 -0.431819
H -1.326414 2.159968 0.562305
H 7.268484 2.299067 0.802943
H 6.939179 0.846327 -0.147007
H 6.409090 2.424006 -0.735687
H -5.751360 -0.074157 0.112290
H -3.387237 3.387414 1.100558
H -5.610983 2.288234 0.890121
H 2.344193 -3.245569 0.359063
H 1.686310 -2.104028 1.457067
H -0.922621 -3.157941 1.628538


%chk=000257072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257072

0 1
S 0.277796 0.421979 0.836832
O -1.424292 -2.183823 1.242331
O -0.955478 -2.715091 -0.960408
O 3.036711 -2.075932 -0.795907
N 1.855414 -2.204575 1.207503
C -1.101511 -0.319436 -0.315382
C 1.917258 -0.049914 -0.025756
C 3.007244 0.850601 0.625632
C -0.798611 -0.042323 -1.816900
C -2.457722 0.294233 0.094345
C 4.380816 0.766144 -0.082713
C -1.134308 -1.840332 -0.084260
C 5.430364 1.683724 0.586043
C -0.667320 1.446725 -2.183671
C 2.294250 -1.539925 0.080953
C -3.639383 -0.366006 -0.338731
C -2.582996 1.514202 0.800315
C 6.802108 1.624915 -0.119983
C -4.912187 0.174987 -0.064018
C -3.859469 2.055953 1.078199
C -5.028682 1.391139 0.648900
H 1.832394 0.198528 -1.095928
H 2.649325 1.898825 0.593828
H 3.119551 0.579252 1.694364
H 0.104621 -0.604463 -2.115863
H -1.626694 -0.495190 -2.395753
H 4.743990 -0.278150 -0.087450
H 4.262827 1.054502 -1.147102
H 5.059601 2.729450 0.590172
H 5.548407 1.390378 1.649436
H -0.469175 1.549785 -3.265563
H -1.592198 2.003003 -1.951077
H 0.160356 1.929895 -1.633740
H -3.566907 -1.309475 -0.894913
H -1.686612 2.045809 1.134756
H 7.540556 2.282321 0.374657
H 7.206129 0.595295 -0.113985
H 6.718361 1.943880 -1.175943
H -5.810988 -0.351245 -0.404285
H -3.936072 2.999636 1.629820
H -6.016542 1.812350 0.865729
H 2.131399 -3.177453 1.336150
H 1.179235 -1.764865 1.837043
H -1.481168 -3.176110 1.303017


