%chk=000198628.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198628

0 1
S 3.448698 0.035183 -1.021704
O -1.234788 -1.009178 0.242110
O 0.998886 0.847904 -0.332162
O 1.161808 0.792585 1.977717
O 3.098259 -1.500231 -1.547331
N 2.967127 0.245821 0.586095
C -2.613103 -1.601294 0.420845
C -3.615825 -0.436636 0.167083
C -2.738035 0.743149 -0.114659
C -1.379986 0.320373 -0.044811
C -2.684634 -2.704503 -0.619918
C -2.622710 -2.109236 1.851596
C -3.046799 2.059558 -0.401108
C -0.348394 1.234388 -0.264024
C -1.996061 2.974812 -0.620019
C -0.663899 2.575781 -0.546608
C 1.643536 0.622439 0.883951
C 3.834835 -0.184244 1.701830
C 4.104244 -2.488607 -1.255534
H -4.267564 -0.259043 1.041992
H -4.291751 -0.653467 -0.679859
H -1.843565 -3.403848 -0.507642
H -3.612604 -3.279538 -0.546167
H -2.608277 -2.300071 -1.638516
H -3.557898 -2.618471 2.102312
H -1.796545 -2.813291 2.024749
H -2.473523 -1.287503 2.566839
H -4.080355 2.393102 -0.456716
H -2.234629 4.012400 -0.845505
H 0.148449 3.282696 -0.712113
H 4.883462 0.084474 1.489292
H 3.769781 -1.272174 1.872892
H 3.535251 0.321496 2.641595
H 5.092910 -2.168689 -1.595993
H 3.763414 -3.359715 -1.832873
H 4.107683 -2.719518 -0.186637


%chk=000198628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198628

0 1
S 3.704115 0.241810 -0.966433
O -1.113474 -0.929017 0.005839
O 1.011125 1.116894 -0.316875
O 0.987905 0.389008 1.927942
O 3.277522 -1.324273 -1.818872
N 2.902425 0.140115 0.607560
C -2.457387 -1.580130 0.379642
C -3.533904 -0.526271 -0.053604
C -2.738200 0.764704 -0.184381
C -1.363397 0.433024 -0.151626
C -2.518742 -2.897794 -0.396616
C -2.420249 -1.777461 1.904594
C -3.144106 2.096452 -0.372525
C -0.380050 1.430921 -0.284050
C -2.153505 3.101847 -0.524821
C -0.779717 2.768523 -0.480363
C 1.567926 0.524295 0.827962
C 3.599443 -0.473313 1.765985
C 4.087825 -2.485082 -1.394140
H -4.343256 -0.457653 0.694901
H -3.992276 -0.806521 -1.021826
H -1.684653 -3.558975 -0.104565
H -3.469176 -3.421997 -0.186625
H -2.450277 -2.713515 -1.482507
H -3.339984 -2.285719 2.249602
H -1.548395 -2.389991 2.189758
H -2.337158 -0.805236 2.421091
H -4.207333 2.358241 -0.405807
H -2.449237 4.145192 -0.673432
H -0.005992 3.534380 -0.592237
H 4.664003 -0.580410 1.509496
H 3.168301 -1.461029 2.009461
H 3.491595 0.173992 2.652342
H 5.173303 -2.278017 -1.455078
H 3.818411 -3.280972 -2.109573
H 3.823966 -2.809120 -0.369220


