%chk=000206170.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206170

0 1
S -2.697942 -2.545669 -0.921657
S 4.210363 -0.001442 2.257737
O 1.621550 2.874393 -0.958063
N 3.350523 0.783977 -0.105035
C 3.631973 2.200176 0.271445
C 2.639342 0.699492 -1.412088
C -0.657651 -1.376150 0.669763
C -1.625775 -0.634597 1.551031
C 3.140583 -1.650669 0.373349
C 1.671720 -1.851474 0.118176
C 3.513582 -0.245024 0.757785
C 2.310693 2.984188 0.304828
C 1.333850 1.512295 -1.328234
C -2.438390 0.337943 0.739796
C -1.060510 -2.196685 -0.390300
C 0.716816 -1.218699 0.919818
C -3.538570 -0.126202 -0.011358
C -3.897640 -1.570252 0.030721
C 1.253077 -2.687724 -0.930709
C -0.106681 -2.859072 -1.179813
C -2.093163 1.694192 0.702358
C -4.276341 0.776675 -0.789198
C -2.836878 2.588178 -0.073710
C -3.926628 2.129671 -0.818919
H 4.326012 2.629114 -0.486901
H 4.155816 2.273069 1.256629
H 2.429108 -0.348977 -1.708151
H 3.304874 1.127003 -2.198722
H -1.089519 -0.105444 2.369270
H -2.283062 -1.356550 2.086844
H 3.757749 -1.982282 -0.491763
H 3.444303 -2.350659 1.199032
H 1.644399 2.638192 1.114518
H 2.476991 4.073702 0.388923
H 0.851161 1.629716 -2.315682
H 0.616789 1.076117 -0.607508
H 1.043271 -0.598376 1.757673
H -3.969007 -1.949329 1.070801
H -4.880239 -1.783154 -0.443402
H 1.983814 -3.208533 -1.546238
H -0.420771 -3.511671 -1.998885
H -1.241766 2.056955 1.275903
H -5.121687 0.424444 -1.378357
H -2.562033 3.641677 -0.099777
H -4.503405 2.825467 -1.425929


%chk=000206170-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206170

0 1
S -2.874913 -2.938368 -0.604751
S 3.943089 0.072367 2.454005
O 1.791834 3.045025 -1.317519
N 3.264931 0.885925 -0.066868
C 3.528588 2.299923 0.300848
C 2.768667 0.758888 -1.462021
C -0.736403 -1.560379 0.807896
C -1.748902 -0.866818 1.717421
C 3.115448 -1.565976 0.328816
C 1.625081 -1.845563 0.109978
C 3.430251 -0.149857 0.821274
C 2.259031 3.142756 0.076692
C 1.512682 1.640853 -1.653706
C -2.467606 0.211462 0.911232
C -1.148053 -2.396532 -0.267493
C 0.644537 -1.298960 0.971015
C -3.525647 -0.154181 0.027119
C -4.062662 -1.559742 0.043382
C 1.194410 -2.680193 -0.950270
C -0.177192 -2.946516 -1.140999
C -2.022135 1.554176 0.937425
C -4.095133 0.827232 -0.821545
C -2.605129 2.531375 0.099214
C -3.641389 2.164643 -0.789521
H 4.347513 2.681128 -0.339940
H 3.849635 2.324054 1.356811
H 2.517752 -0.284749 -1.696159
H 3.566420 1.102611 -2.150151
H -1.225846 -0.414982 2.577870
H -2.464506 -1.608535 2.119799
H 3.675177 -1.786964 -0.602495
H 3.508196 -2.246258 1.103390
H 1.456872 2.805724 0.768405
H 2.466457 4.211777 0.245583
H 1.201188 1.644837 -2.710812
H 0.683134 1.254570 -1.024892
H 0.964717 -0.656164 1.800731
H -4.358580 -1.876015 1.056479
H -4.929495 -1.665598 -0.628977
H 1.928627 -3.120664 -1.636504
H -0.500255 -3.576438 -1.977235
H -1.210829 1.834599 1.620906
H -4.903786 0.542409 -1.505321
H -2.250352 3.567249 0.134463
H -4.094725 2.913872 -1.447575


