%chk=000207769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207769

0 1
S 4.283509 -0.664828 -0.380595
O 4.695439 -1.844456 0.355490
O 4.523237 -0.556184 -1.807607
O -1.774004 -0.452287 2.756645
O -3.662904 1.260956 -0.929543
N -1.411900 0.589323 0.718993
N -4.450037 0.003663 0.792876
N 5.152186 0.642699 0.328872
C 2.637171 -0.315519 -0.046088
C -0.046158 0.255727 0.498950
C 1.874935 0.415804 -0.967372
C 2.047997 -0.765521 1.141991
C 0.540195 0.706287 -0.708090
C 0.713377 -0.485629 1.423733
C -3.640154 0.727171 1.784150
C -2.190187 0.205655 1.827314
C -4.406252 0.361092 -0.560891
C -5.310460 -0.417642 -1.463365
H 2.329738 0.754269 -1.906739
H 2.636356 -1.353649 1.857273
H -0.043472 1.272818 -1.432053
H 0.260167 -0.842293 2.355695
H -1.884310 1.126261 -0.041621
H -3.648398 1.824900 1.566000
H -4.083542 0.600383 2.801137
H -4.965377 -0.803161 1.127879
H 5.746468 0.442910 1.129893
H 5.637367 1.286463 -0.291380
H -5.267936 -0.004065 -2.487278
H -5.017845 -1.475073 -1.539268
H -6.363306 -0.381473 -1.150400


%chk=000207769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207769

0 1
S 4.367285 -0.697201 -0.373074
O 4.857582 -1.885628 0.629342
O 4.523717 -0.779166 -1.992801
O -1.850222 -0.413785 2.971739
O -3.474560 1.231045 -0.967292
N -1.457127 0.524267 0.836878
N -4.476705 0.022864 0.732814
N 5.253454 0.853755 0.094663
C 2.578528 -0.314905 0.030754
C -0.093550 0.216876 0.614523
C 1.810241 0.359663 -0.933254
C 2.063962 -0.741045 1.264669
C 0.462656 0.622966 -0.633329
C 0.712703 -0.472791 1.563885
C -3.704571 0.697271 1.796354
C -2.242589 0.200334 1.936172
C -4.344839 0.368318 -0.596347
C -5.273028 -0.317378 -1.583438
H 2.248208 0.647385 -1.893719
H 2.697813 -1.291838 1.967045
H -0.166975 1.142125 -1.364792
H 0.273943 -0.788734 2.511757
H -1.973664 1.000746 0.066874
H -3.702095 1.782821 1.583366
H -4.199073 0.518813 2.762876
H -5.120763 -0.723067 0.998968
H 5.755480 0.691002 0.983674
H 5.886057 1.088553 -0.689156
H -5.868797 0.449893 -2.107140
H -4.671538 -0.839186 -2.346979
H -5.959631 -1.039370 -1.110433


