%chk=000194504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194504

0 1
S -4.836614 0.323356 -1.159450
O 0.774749 1.012654 0.552476
O 2.743839 2.136828 2.104658
N 4.240284 0.344580 -0.727101
C 2.973298 1.839537 0.725584
C 3.578536 0.421599 0.604834
C 4.138538 -0.996630 -1.381245
C 1.670218 1.984454 -0.077307
C -0.508894 0.911827 0.077823
C -1.280850 -0.075738 0.794807
C 4.879631 -2.106813 -0.617485
C 4.690416 -0.860575 -2.806918
C -2.634042 -0.276823 0.409178
C -3.156276 0.494052 -0.678442
C -1.037900 1.647684 -0.961888
C -0.723435 -0.836695 1.864347
C -2.388325 1.422345 -1.338590
C -3.407134 -1.240700 1.128082
C -1.489559 -1.761735 2.530964
C -2.848263 -1.959779 2.157445
C -4.786007 -1.093453 -2.287112
H 3.703531 2.626646 0.419356
H 2.769530 -0.336280 0.699259
H 4.269949 0.250807 1.457054
H 3.048114 -1.258537 -1.436175
H 5.220798 0.631258 -0.645397
H 1.811619 1.708204 -1.137749
H 1.227329 2.988632 0.026647
H 4.790112 -3.067774 -1.136112
H 5.949170 -1.895045 -0.519370
H 4.476964 -2.245411 0.390664
H 4.207764 -0.028188 -3.335752
H 4.509599 -1.771911 -3.386017
H 5.768611 -0.670357 -2.819260
H -0.461646 2.390378 -1.501858
H 1.967806 1.634432 2.442458
H 0.319318 -0.663262 2.133325
H -2.796765 2.008622 -2.166155
H -4.454431 -1.389960 0.857583
H -1.075743 -2.348155 3.348479
H -3.440203 -2.692347 2.706239
H -5.814766 -1.300601 -2.606799
H -4.385535 -1.987237 -1.797751
H -4.182034 -0.880989 -3.174927


%chk=000194504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194504

0 1
S -4.949492 0.441972 -1.355371
O 0.768601 0.964334 0.689060
O 2.818497 1.999660 2.264665
N 4.122404 0.290278 -0.839806
C 3.024497 1.769093 0.827802
C 3.699643 0.398017 0.573341
C 4.274072 -1.082726 -1.394521
C 1.708582 1.918123 0.056216
C -0.534649 0.879982 0.183470
C -1.395392 -0.065372 0.855230
C 5.372198 -1.928608 -0.692678
C 4.535777 -0.980576 -2.910893
C -2.765929 -0.209939 0.403735
C -3.217886 0.570632 -0.724838
C -1.004642 1.640342 -0.892401
C -0.929838 -0.851911 1.957260
C -2.349012 1.471976 -1.342005
C -3.617666 -1.127198 1.102846
C -1.783551 -1.747112 2.606941
C -3.140645 -1.879002 2.179377
C -4.804321 -1.161249 -2.357728
H 3.708039 2.577415 0.507292
H 2.965893 -0.405359 0.776976
H 4.523175 0.290599 1.313877
H 3.297945 -1.586914 -1.242284
H 4.959690 0.859405 -1.034265
H 1.867633 1.651267 -1.005552
H 1.304479 2.943837 0.155467
H 5.394357 -2.959515 -1.093084
H 6.371370 -1.478784 -0.853906
H 5.195363 -1.991643 0.396589
H 3.727132 -0.414736 -3.404974
H 4.599205 -1.983936 -3.368983
H 5.493362 -0.459815 -3.110346
H -0.360437 2.358971 -1.404781
H 2.009936 1.488179 2.530347
H 0.108828 -0.737756 2.279913
H -2.706691 2.061590 -2.191832
H -4.663084 -1.202700 0.783891
H -1.417121 -2.343718 3.449443
H -3.810274 -2.569212 2.704363
H -5.805601 -1.359029 -2.772332
H -4.496834 -1.989999 -1.701537
H -4.076311 -1.025962 -3.171578


