%chk=000207874.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207874

0 1
S -3.359433 0.447444 0.709396
S 2.943173 -1.330193 -1.947628
P 3.404977 -0.635379 -0.244225
O -4.108398 -0.719598 1.146504
O -3.587261 1.715859 1.377126
O 2.333854 -0.983341 0.982914
O 3.553110 0.982612 -0.075917
O 4.779918 -1.159721 0.457204
N -3.615258 0.744928 -0.969284
C -4.710198 1.699694 -1.291636
C -3.463091 -0.409269 -1.894214
C -1.674626 0.050398 0.758468
C -6.118128 1.213052 -0.951972
C -4.485212 -1.530700 -1.722414
C -1.283174 -1.264573 1.042773
C -0.715765 1.044232 0.535786
C 1.010495 -0.590843 0.838152
C 0.067638 -1.602811 1.081785
C 0.645395 0.735596 0.572142
C 4.433989 1.665142 -1.034997
C 5.009044 -2.612344 0.468774
C 4.202295 3.127783 -0.713778
C 6.390093 -2.723712 1.082314
H -4.494412 2.646037 -0.734610
H -4.645764 1.948762 -2.374852
H -3.505024 -0.020978 -2.938718
H -2.430115 -0.809881 -1.761875
H -2.043884 -2.032898 1.236316
H -1.027272 2.076139 0.337394
H -6.872853 1.940713 -1.269137
H -6.254440 1.061398 0.127839
H -6.349144 0.254881 -1.440743
H -4.280586 -2.364540 -2.400156
H -5.508801 -1.178294 -1.919078
H -4.494659 -1.930631 -0.693858
H 0.400022 -2.616331 1.297265
H 1.397353 1.514227 0.417728
H 5.475429 1.350740 -0.829737
H 4.136592 1.411863 -2.071440
H 4.231206 -3.083357 1.099892
H 4.976162 -3.006190 -0.565870
H 3.182003 3.442384 -0.971270
H 4.327300 3.318514 0.363252
H 4.904167 3.773715 -1.254576
H 7.153892 -2.261792 0.442112
H 6.434965 -2.200086 2.049333
H 6.671629 -3.769950 1.249713


%chk=000207874-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207874

0 1
S -3.543969 0.539100 0.633882
S 3.214411 -1.023179 -2.221889
P 3.581762 -0.487276 -0.268004
O -4.294572 -0.667042 1.452926
O -3.737994 2.088998 1.099421
O 2.346699 -0.836707 0.924139
O 3.853527 1.174035 0.087211
O 4.924121 -1.206061 0.526969
N -3.891932 0.551622 -1.200472
C -4.982738 1.506697 -1.555638
C -3.836423 -0.802073 -1.817717
C -1.708548 0.109199 0.637430
C -6.377137 1.302912 -0.916084
C -5.033738 -1.764356 -1.629084
C -1.327742 -1.125759 1.187667
C -0.792072 1.063447 0.164698
C 0.985642 -0.489770 0.763686
C 0.047836 -1.432244 1.241801
C 0.583137 0.758937 0.230422
C 4.930203 1.890189 -0.674755
C 5.186323 -2.667799 0.330514
C 4.816331 3.359290 -0.283698
C 6.590846 -2.922575 0.866323
H -4.616563 2.515240 -1.295877
H -5.046221 1.452095 -2.660711
H -3.663990 -0.613678 -2.896420
H -2.912608 -1.284044 -1.442930
H -2.089412 -1.812999 1.570333
H -1.140175 2.023000 -0.228671
H -7.060624 2.091666 -1.282363
H -6.314835 1.398690 0.181770
H -6.817886 0.322953 -1.157552
H -4.776428 -2.749673 -2.061291
H -5.939840 -1.400716 -2.143187
H -5.258741 -1.900891 -0.557708
H 0.405011 -2.379463 1.654834
H 1.334658 1.482053 -0.100700
H 5.903194 1.456190 -0.380890
H 4.765520 1.731742 -1.758028
H 4.420101 -3.230970 0.894119
H 5.098780 -2.904814 -0.747341
H 3.833188 3.768353 -0.571657
H 4.945005 3.484742 0.804262
H 5.602058 3.941843 -0.799173
H 7.338805 -2.343350 0.299131
H 6.660344 -2.641811 1.930583
H 6.833888 -3.997042 0.771916


