%chk=000197144.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197144

0 1
S -2.922876 1.219559 0.550713
O -0.357933 -1.957347 -1.084448
N 1.714303 -0.438893 -1.211815
N 5.396574 -0.449887 -0.407198
C -0.464355 0.279547 -0.358383
C 0.927177 0.527441 -0.628012
C -1.211488 1.347034 0.180650
C -0.677579 2.597011 0.474582
C 3.169915 -0.297369 -1.416246
C -1.045129 -1.035813 -0.633651
C -2.483794 -1.327970 -0.381646
C 1.482553 1.808358 -0.311937
C 3.947803 -0.688119 -0.138300
C -3.391289 -0.405511 0.133497
C 0.699278 2.806926 0.217839
C -1.502664 3.703135 1.044836
C -2.950003 -2.625483 -0.690615
C -4.737950 -0.734874 0.347677
C 6.208956 -0.471846 0.851118
C -4.282413 -2.967897 -0.483692
C -5.178117 -2.019734 0.036564
C 7.696315 -0.531376 0.508954
H 3.462733 -0.948145 -2.270664
H 3.435541 0.744885 -1.715118
H 1.315106 -1.384434 -1.384475
H 2.539728 1.992135 -0.503183
H 3.618691 -0.043647 0.707782
H 3.711696 -1.732780 0.155296
H 1.138388 3.780076 0.447832
H -2.329957 3.982397 0.373855
H -1.938561 3.427943 2.017786
H -0.916072 4.616150 1.212680
H 5.746833 -1.160861 -1.058854
H -2.238519 -3.353601 -1.096406
H -5.434248 0.000310 0.751283
H 5.984138 0.469065 1.403806
H 5.941503 -1.313393 1.527291
H -4.633323 -3.969877 -0.724652
H -6.221654 -2.291520 0.196948
H 7.978906 -1.484610 0.049229
H 7.973825 0.266758 -0.193886
H 8.310361 -0.403342 1.407662


%chk=000197144-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197144

0 1
S -3.048899 1.302472 0.541110
O -0.368945 -2.001379 -1.101781
N 1.708748 -0.521647 -1.063738
N 5.437393 -0.514250 -0.354770
C -0.501082 0.280644 -0.321042
C 0.933461 0.493784 -0.549429
C -1.256063 1.388271 0.200474
C -0.685345 2.650643 0.495988
C 3.148768 -0.432533 -1.308191
C -1.092203 -1.031145 -0.626528
C -2.539933 -1.324273 -0.409031
C 1.500346 1.767447 -0.239456
C 4.003198 -0.649285 -0.032345
C -3.484941 -0.393659 0.091344
C 0.704771 2.802574 0.261344
C -1.505837 3.803795 1.043156
C -2.999342 -2.635422 -0.729410
C -4.845524 -0.753769 0.267809
C 6.345795 -0.536105 0.815240
C -4.342719 -3.002191 -0.557605
C -5.272477 -2.054258 -0.055620
C 7.812835 -0.406073 0.371270
H 3.407312 -1.210193 -2.052665
H 3.422637 0.540153 -1.757945
H 1.176041 -1.400982 -1.238342
H 2.567497 1.940236 -0.398157
H 3.743752 0.123643 0.716221
H 3.731455 -1.635166 0.419967
H 1.168289 3.770938 0.485322
H -2.320850 4.095972 0.352357
H -1.980900 3.551373 2.011361
H -0.868728 4.689795 1.203082
H 5.732951 -1.203443 -1.062264
H -2.254522 -3.338008 -1.114775
H -5.558502 -0.018139 0.656195
H 6.077223 0.318513 1.466980
H 6.224322 -1.459678 1.435801
H -4.672901 -4.015137 -0.809960
H -6.323824 -2.329316 0.082137
H 8.113786 -1.258780 -0.267744
H 7.957423 0.522987 -0.207331
H 8.487929 -0.388009 1.245673


