%chk=000200997.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200997

0 1
S 3.279830 1.254866 -0.045852
S -2.646634 -2.203416 0.078780
P -3.372262 -0.455898 -0.024164
O 3.881035 1.594168 -1.320321
O 3.474138 2.078453 1.129629
O -2.510592 0.633786 -0.938784
O -4.856132 -0.258718 -0.690734
O -3.541381 0.405527 1.364147
N 3.851728 -0.324143 0.355097
C 3.243385 -0.979175 1.550979
C 3.833676 -1.339958 -0.739568
C 2.270433 -2.058979 1.026385
C 2.657663 -2.298549 -0.446592
C 1.563098 1.092202 -0.292672
C 0.684459 1.323332 0.770308
C 1.072819 0.742122 -1.555270
C -0.691116 1.154263 0.602427
C -0.295987 0.561307 -1.754134
C -1.151391 0.758894 -0.660564
C -5.077354 -0.941909 -1.952521
C -4.333346 -0.237535 2.397305
H 2.759214 -0.251256 2.229139
H 4.072895 -1.444230 2.131182
H 4.804722 -1.884259 -0.701611
H 3.778051 -0.873817 -1.742891
H 2.348624 -2.985057 1.618729
H 1.220134 -1.728269 1.106915
H 1.801332 -2.102139 -1.113868
H 2.949989 -3.347247 -0.619180
H 1.072298 1.651894 1.743055
H 1.762554 0.613620 -2.398042
H -1.383050 1.347934 1.425699
H -0.703593 0.282640 -2.723755
H -4.442072 -0.517550 -2.740098
H -6.133675 -0.702750 -2.153716
H -4.949217 -2.028441 -1.856026
H -4.286410 0.503889 3.210708
H -3.879096 -1.182538 2.724119
H -5.373068 -0.366063 2.070564


%chk=000200997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200997

0 1
S 3.358614 1.253270 0.005519
S -3.076551 -2.368642 0.411853
P -3.667438 -0.435894 0.024195
O 3.977827 1.673923 -1.442209
O 3.499506 2.147725 1.355416
O -2.608397 0.570143 -0.936193
O -5.129791 -0.192204 -0.843439
O -3.923557 0.626856 1.353615
N 4.266514 -0.387942 0.449869
C 3.569742 -1.119360 1.559549
C 4.302583 -1.329776 -0.712435
C 2.683747 -2.240187 0.920424
C 3.047018 -2.240841 -0.601225
C 1.490362 1.026919 -0.267204
C 0.637059 1.135377 0.844609
C 1.030546 0.798921 -1.576099
C -0.749235 0.968856 0.643223
C -0.354943 0.625753 -1.773530
C -1.224751 0.699872 -0.662015
C -5.438091 -1.068262 -1.999776
C -4.820067 0.172218 2.447572
H 3.019331 -0.405387 2.196889
H 4.371946 -1.550157 2.186787
H 5.236132 -1.913156 -0.592940
H 4.389700 -0.756800 -1.651858
H 2.910736 -3.215957 1.383800
H 1.608299 -2.044531 1.069173
H 2.215771 -1.824548 -1.196610
H 3.249789 -3.257088 -0.980022
H 1.043837 1.385323 1.829709
H 1.735861 0.781768 -2.413255
H -1.457447 1.067494 1.471875
H -0.770679 0.442615 -2.768184
H -4.840943 -0.758945 -2.874321
H -6.508915 -0.907444 -2.190679
H -5.244350 -2.128366 -1.753118
H -4.695671 0.927623 3.236624
H -4.513686 -0.824341 2.814926
H -5.864707 0.152173 2.094285


