%chk=000198306.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198306

0 1
S 2.693675 -0.664521 -1.807221
P 3.175845 -0.286067 -0.009201
O 2.784290 -1.198075 1.276723
O 4.780401 -0.202197 0.317760
O 2.913966 1.372385 0.452734
O -2.450985 1.726831 0.395056
N 0.866373 0.430709 0.286134
N -0.440420 0.439400 0.259746
C -5.063660 -1.436866 -0.378910
C -3.236712 0.577958 0.125304
C 1.916135 -2.360229 1.054251
C 5.603858 0.572398 -0.616897
C -3.979531 -1.230285 -1.251466
C -5.214260 -0.618427 0.752891
C -3.052179 -0.216481 -1.008865
C -4.294860 0.397692 1.021246
C 1.577380 1.592798 0.457951
C -1.085814 1.637732 0.395138
C 0.972724 2.862938 0.614557
C -6.043002 -2.528409 -0.663106
C 2.731899 -3.527337 0.537529
C 6.992337 0.445974 -0.019318
C -0.408301 2.881762 0.579361
H 1.054463 -2.104359 0.406081
H 1.559507 -2.519231 2.093751
H 5.248423 1.620098 -0.629421
H 5.541054 0.120050 -1.626093
H -3.858436 -1.867999 -2.126723
H -6.050256 -0.775974 1.432848
H -2.203036 -0.059311 -1.673631
H -4.392954 1.039335 1.894121
H 1.579899 3.756663 0.751695
H 3.727782 -3.557856 1.003406
H 2.882180 -3.493290 -0.551397
H 2.238955 -4.481742 0.760645
H 7.735326 0.993630 -0.608726
H 7.304097 -0.606495 0.037089
H 7.015182 0.830789 1.010345
H -6.511497 -2.398898 -1.649564
H -6.855269 -2.575229 0.073697
H -5.552310 -3.512915 -0.662927
H -0.987967 3.799549 0.685409


%chk=000198306-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198306

0 1
S 3.400000 -0.720547 -2.197043
P 3.690490 -0.387053 -0.185166
O 3.395204 -1.597880 0.981282
O 5.265912 0.010677 0.359998
O 2.926788 1.129970 0.455765
O -2.526259 1.490097 0.471034
N 0.831257 0.114854 0.208876
N -0.544752 0.164050 0.202942
C -5.690113 -1.270201 -0.258508
C -3.502542 0.478449 0.211382
C 2.406241 -2.691250 0.684418
C 6.031315 1.056624 -0.386354
C -4.350011 -1.715829 -0.383109
C -5.905410 0.083369 0.109726
C -3.246846 -0.863643 -0.152876
C -4.824503 0.956898 0.344095
C 1.549534 1.239557 0.451295
C -1.149671 1.357121 0.451487
C 0.958719 2.508978 0.716613
C -6.854200 -2.213492 -0.509012
C 3.115799 -3.900258 0.077231
C 7.441553 1.029773 0.193326
C -0.432566 2.564904 0.718569
H 1.607189 -2.285044 0.039759
H 1.987468 -2.909259 1.680722
H 5.536708 2.032851 -0.227541
H 6.018513 0.808983 -1.465354
H -4.154545 -2.757072 -0.668010
H -6.929544 0.460190 0.213617
H -2.220356 -1.217396 -0.248143
H -4.986424 2.001772 0.625480
H 1.585810 3.382152 0.907527
H 3.940230 -4.239496 0.727521
H 3.521516 -3.661850 -0.920770
H 2.394110 -4.732113 -0.031842
H 8.064989 1.792978 -0.308246
H 7.906230 0.040971 0.042964
H 7.422475 1.247600 1.274328
H -6.808964 -2.648814 -1.524820
H -7.823104 -1.694979 -0.408334
H -6.849555 -3.057759 0.206105
H -0.984386 3.487614 0.911070


