%chk=000287045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287045

0 1
S -6.015652 0.511183 1.231781
O -1.697834 0.835374 -2.086742
O -6.821354 0.605268 2.425448
O -5.765329 1.675786 0.417056
N 0.184941 -0.929819 -1.258830
N 4.017073 -0.195477 0.506117
N -4.522057 -0.127413 1.815114
C 1.470750 -0.640626 -0.641313
C 2.030938 0.657985 -0.649335
C 2.184304 -1.717729 -0.072791
C 3.332124 0.832094 -0.064131
C 3.469176 -1.439348 0.511930
C 3.947233 2.159508 -0.069678
C 4.220874 -2.530754 1.131896
C 1.360984 1.807419 -1.202740
C 1.698562 -3.075426 -0.068801
C -0.958170 -0.636125 -0.425744
C 3.265522 3.208425 -0.619776
C 3.697319 -3.792833 1.121214
C 1.958691 3.031306 -1.186456
C 2.428852 -4.069542 0.507480
C -1.996246 0.225052 -0.886804
C 5.303493 2.325643 0.526550
C 5.540404 -2.228983 1.757273
C -1.126924 -1.256729 0.816591
C -3.324570 -0.250108 1.065335
C -3.174282 0.412570 -0.170117
C -2.292003 -1.067288 1.563567
C -6.610466 -0.763908 0.207171
C -2.655789 1.781098 -2.626888
H 0.105797 -0.459615 -2.176988
H 0.360524 1.679353 -1.623924
H 0.740632 -3.274669 -0.555199
H 3.697164 4.208212 -0.638771
H 4.234229 -4.624813 1.574887
H 1.459601 3.907009 -1.599614
H 2.073466 -5.098994 0.513488
H 5.306892 2.013525 1.583766
H 6.036051 1.676207 0.020428
H 5.673193 3.355433 0.477024
H 6.023085 -3.110889 2.191750
H 6.232091 -1.792002 1.018683
H 5.433604 -1.473121 2.551932
H -0.334032 -1.898717 1.209967
H -3.932766 1.114019 -0.526417
H -2.390764 -1.560019 2.526788
H -4.445081 -0.372164 2.812571
H -7.104323 -1.575757 0.763863
H -7.357376 -0.412071 -0.522136
H -5.828875 -1.252520 -0.396706
H -2.819135 2.602809 -1.921158
H -3.590728 1.269486 -2.873005
H -2.141314 2.128093 -3.531706


%chk=000287045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287045

0 1
S -6.248922 -1.094792 0.715834
O -2.004541 1.261983 -2.231234
O -7.663136 -1.106108 1.527537
O -6.203664 -0.818643 -0.894821
N 0.116161 0.551424 -0.863226
N 4.108881 -0.309768 0.454386
N -4.984640 0.405393 1.565491
C 1.419778 0.243369 -0.393860
C 2.423954 1.261720 -0.468960
C 1.767325 -1.061691 0.078384
C 3.778710 0.919647 -0.049840
C 3.141164 -1.275240 0.528257
C 4.833097 1.914504 -0.143676
C 3.532732 -2.574963 1.049148
C 2.146592 2.600297 -0.913915
C 0.856536 -2.173980 0.069572
C -1.103482 0.433959 -0.191284
C 4.512405 3.188877 -0.615464
C 2.592548 -3.606077 1.055443
C 3.172258 3.538147 -0.987996
C 1.263959 -3.414630 0.547644
C -2.278667 0.836622 -0.920237
C 6.238909 1.547891 0.275339
C 4.945916 -2.779092 1.547342
C -1.256631 0.005263 1.155661
C -3.690828 0.366302 1.022519
C -3.542142 0.820915 -0.328112
C -2.531436 -0.064677 1.740340
C -5.440380 -2.841374 0.954367
C -3.146234 1.668824 -3.062575
H 0.043578 1.057617 -1.752629
H 1.121878 2.892194 -1.167150
H -0.152675 -2.041439 -0.329240
H 5.300968 3.946793 -0.688829
H 2.880936 -4.591787 1.438750
H 2.957365 4.559282 -1.321569
H 0.569686 -4.261993 0.530189
H 6.264189 1.234368 1.334439
H 6.610447 0.683833 -0.304117
H 6.928951 2.397522 0.135900
H 5.091660 -3.809201 1.915073
H 5.677919 -2.575870 0.745327
H 5.184766 -2.069932 2.360109
H -0.372739 -0.277052 1.733326
H -4.441508 1.139056 -0.859501
H -2.634777 -0.416721 2.774084
H -5.009089 0.130835 2.570668
H -5.503983 -3.075133 2.025889
H -6.048358 -3.520734 0.340738
H -4.407225 -2.762667 0.588691
H -3.638825 2.565072 -2.641485
H -3.878784 0.845579 -3.148729
H -2.718106 1.901673 -4.048097


