%chk=000217077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217077

0 1
S 2.179510 -0.750952 0.870860
S -1.512144 -1.552400 1.071701
P 3.697817 -0.194407 -0.472571
O 4.102642 1.177999 0.341029
O 2.882340 0.246097 -1.818321
O -3.722600 -0.085049 1.018478
O 4.748862 -1.181800 -0.765239
O -6.867778 0.613362 0.377495
N -0.690370 0.048289 -0.798899
N -1.927465 0.493106 -0.497031
C 1.018762 -1.677022 -0.221005
C 5.521399 1.462256 0.511804
C 2.054155 1.447061 -1.810675
C -0.274696 -0.998297 -0.103140
C -4.571502 1.010481 0.474059
C -5.822693 0.907199 1.334303
C 6.181406 0.491635 1.470693
C 2.912852 2.670319 -2.065803
C -2.524138 -0.225955 0.466937
C -8.110044 0.214705 0.984781
H 1.002638 -2.733599 0.121013
H 1.356552 -1.702550 -1.287127
H 5.464810 2.488958 0.931391
H 6.019432 1.491805 -0.475189
H 1.367673 1.222702 -2.655204
H 1.463243 1.522532 -0.878381
H -4.772452 0.792231 -0.594227
H -4.016525 1.956151 0.581092
H -5.735498 0.089200 2.077689
H -6.067734 1.854471 1.845646
H 5.568109 0.325183 2.366946
H 6.360516 -0.496457 1.012300
H 7.155850 0.866540 1.806138
H 3.474989 2.976114 -1.172176
H 3.640036 2.485558 -2.868167
H 2.295604 3.524313 -2.371925
H -8.755133 0.051167 0.111048
H -8.508660 1.015020 1.614320
H -7.983965 -0.713866 1.549259


%chk=000217077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217077

0 1
S 2.211334 -0.636765 0.936580
S -1.546684 -1.371572 1.269380
P 3.810045 -0.137405 -0.661012
O 4.592936 1.172649 0.167720
O 2.916262 0.584785 -1.942961
O -3.864346 0.082457 1.021980
O 4.760180 -1.295040 -1.188861
O -6.817385 -0.114340 0.574942
N -0.874370 -0.025575 -0.949964
N -2.163005 0.432223 -0.629180
C 0.957888 -1.545004 -0.221183
C 6.058302 1.046712 0.462755
C 2.041951 1.785359 -1.717726
C -0.395245 -0.936159 -0.105156
C -4.736463 1.057739 0.284181
C -6.078065 1.074691 0.989134
C 6.309934 0.180709 1.698313
C 2.812020 3.069777 -2.019215
C -2.649571 -0.152761 0.470392
C -8.088602 -0.255175 1.283217
H 0.980420 -2.604821 0.069116
H 1.320614 -1.425803 -1.254688
H 6.359709 2.094611 0.625375
H 6.576710 0.644686 -0.426958
H 1.200936 1.619142 -2.409185
H 1.649632 1.764458 -0.682953
H -4.833658 0.721999 -0.762283
H -4.237417 2.042931 0.310422
H -5.930740 1.094125 2.091195
H -6.627092 1.998306 0.693689
H 5.731575 0.552872 2.561292
H 6.036687 -0.871823 1.508157
H 7.384050 0.212364 1.961571
H 3.634730 3.215701 -1.299364
H 3.229030 3.043293 -3.040527
H 2.124064 3.933904 -1.950127
H -8.552692 -1.175637 0.897261
H -8.763536 0.606364 1.089799
H -7.934339 -0.351877 2.378775


