%chk=000206607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206607

0 1
S 1.371301 -1.288372 -0.335429
S -0.477730 3.318012 -0.079620
O 0.295064 -2.097407 1.692233
O -2.004578 0.823582 -1.199661
O -1.218054 -0.546491 2.365079
O -0.708698 -0.923374 -1.835992
N 2.055176 -0.950084 -2.864931
N -0.966071 2.174974 2.262566
N 3.240748 0.404429 -1.210985
N 1.265792 1.859761 1.527931
C -1.803173 -2.214983 0.667721
C -2.542386 -1.211579 -0.211559
C -0.933122 -1.492489 1.666914
C -1.616506 -0.493183 -1.162259
C 1.425751 -1.379200 2.303820
C -1.331087 1.734949 -2.118104
C 2.414210 -1.202710 1.166803
C -0.057158 2.266345 -1.497690
C 2.364023 -0.464128 -1.580870
C 0.077423 2.290108 1.333972
H -1.183419 -2.906961 0.044818
H -2.524664 -2.862415 1.212044
H -3.325000 -1.729571 -0.810470
H -3.091352 -0.469581 0.419302
H 1.776998 -2.057617 3.098952
H 1.077591 -0.417109 2.734604
H -1.139903 1.203937 -3.069581
H -2.113675 2.508449 -2.257458
H 2.948962 -0.228921 1.225627
H 3.180821 -1.995786 1.128492
H 0.619362 1.439101 -1.195028
H 0.511252 2.885290 -2.221010
H 1.187996 -1.473323 -2.977657
H 2.251666 -0.352292 -3.654639
H -1.895173 2.041601 1.873176
H -0.797084 1.514182 3.026446
H 3.834362 0.866481 -1.892952
H 2.029934 2.074976 0.893493


%chk=000206607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206607

0 1
S 2.013294 -1.374273 -0.979960
S 0.077495 3.226388 -0.633657
O 0.135392 -2.125527 1.342868
O -2.456806 0.940424 -0.828524
O -1.115420 -0.658235 2.658026
O -2.064548 -1.151312 -1.792974
N 3.461776 0.070027 -2.707270
N -0.883156 2.175536 1.723425
N 3.700910 0.726117 -0.377003
N 1.367725 1.588257 1.364260
C -2.256326 -2.143828 1.062086
C -3.116102 -1.011960 0.434068
C -1.049325 -1.560373 1.786476
C -2.486179 -0.460744 -0.837945
C 1.411439 -1.489030 1.810983
C -1.861123 1.594819 -2.033221
C 2.491123 -1.842101 0.797092
C -0.360191 1.842142 -1.860936
C 3.228307 -0.021758 -1.340581
C 0.283130 2.181227 0.987052
H -1.928769 -2.855815 0.288684
H -2.871800 -2.683716 1.805051
H -4.101266 -1.431033 0.154567
H -3.280399 -0.201729 1.161500
H 1.658443 -1.911803 2.803561
H 1.270908 -0.391636 1.889276
H -2.037508 0.937220 -2.905332
H -2.420203 2.537928 -2.135840
H 3.403415 -1.261612 1.021521
H 2.709172 -2.921309 0.766762
H 0.170353 0.921669 -1.564140
H 0.053797 2.186124 -2.825969
H 3.169929 -0.676330 -3.336707
H 3.932196 0.885277 -3.097072
H -1.739542 2.510476 1.288377
H -0.944928 1.502437 2.493942
H 4.427313 1.409134 -0.664269
H 2.207072 1.587521 0.749922


