%chk=000198314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198314

0 1
S 3.192868 0.701315 1.915242
P 3.509931 0.388549 0.071978
O -2.241956 -1.220896 -0.027286
O 3.106108 -1.197153 -0.497025
O 3.122159 1.445029 -1.112912
O 5.086130 0.230174 -0.390884
N -0.159245 -0.082000 0.021021
N 1.141978 -0.151690 -0.102966
C -2.933143 0.045661 0.350157
C -3.083473 0.897318 -0.910081
C -4.262479 -0.501262 0.878452
C -4.081799 2.034865 -0.662180
C -5.247558 0.650316 1.112664
C -5.427532 1.499836 -0.153149
C -0.897463 -1.224418 -0.158868
C -0.311066 -2.487253 -0.494269
C 1.060739 -2.549568 -0.629390
C 1.755562 -1.334294 -0.416403
C 2.376989 2.622452 -0.691194
C 5.890492 -0.663753 0.417499
H -2.335603 0.549225 1.137497
H -3.420933 0.262791 -1.752903
H -2.099574 1.307414 -1.213084
H -4.096814 -1.072134 1.811448
H -4.680481 -1.228752 0.153197
H -3.659612 2.751424 0.069575
H -4.231662 2.607924 -1.596826
H -6.223974 0.242733 1.436990
H -4.891206 1.286986 1.946118
H -6.114132 2.342133 0.053238
H -5.913163 0.895508 -0.943698
H -0.956524 -3.355103 -0.630585
H 1.598092 -3.462206 -0.882551
H 2.183413 3.109604 -1.658397
H 2.996413 3.265405 -0.054717
H 1.426536 2.357759 -0.203994
H 5.945068 -0.326848 1.461524
H 6.878105 -0.570955 -0.059326
H 5.529113 -1.696235 0.336887


%chk=000198314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198314

0 1
S 3.720611 0.935367 2.187581
P 3.882113 0.508476 0.181267
O -2.354820 -1.304303 -0.121128
O 3.096453 -1.024375 -0.369688
O 3.541322 1.696065 -1.000714
O 5.427956 0.090215 -0.436906
N -0.359346 -0.024162 -0.044820
N 1.014158 0.014283 -0.104004
C -3.127991 -0.052864 0.209797
C -3.376601 0.774230 -1.063641
C -4.431401 -0.540706 0.854323
C -4.300113 1.977652 -0.741298
C -5.352456 0.662600 1.176216
C -5.624237 1.515353 -0.086692
C -0.982690 -1.228509 -0.200585
C -0.280694 -2.451438 -0.436050
C 1.110977 -2.402373 -0.489815
C 1.716442 -1.126123 -0.311332
C 2.584679 2.781112 -0.657813
C 6.213276 -0.928405 0.296234
H -2.519752 0.535105 0.923928
H -3.860462 0.124987 -1.820140
H -2.413583 1.122578 -1.477274
H -4.203229 -1.117013 1.769888
H -4.942139 -1.226902 0.150354
H -3.773747 2.670771 -0.053251
H -4.503588 2.544848 -1.669250
H -6.302932 0.296358 1.608049
H -4.873603 1.297373 1.950050
H -6.248583 2.392212 0.171244
H -6.201458 0.911230 -0.816816
H -0.840858 -3.381507 -0.556355
H 1.726951 -3.288143 -0.658183
H 2.572117 3.408467 -1.561029
H 2.951534 3.353773 0.211947
H 1.592947 2.346918 -0.450261
H 6.281926 -0.673288 1.369983
H 7.208726 -0.892356 -0.169409
H 5.762400 -1.927604 0.166392


