%chk=000298585.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298585

0 1
S -2.033534 1.021753 0.713238
O 0.392271 1.742728 0.697709
C 3.193478 -0.414804 -0.373021
C 4.700971 -0.546482 0.023300
C 0.409980 0.683672 -0.285096
C 2.857359 0.974013 -0.951367
C 2.247733 -0.707955 0.808810
C 1.397489 1.059544 -1.408512
C 0.778353 -0.656885 0.378821
C -1.041324 0.704464 -0.786203
C 5.581253 -0.301507 -1.220349
C 5.088862 0.459234 1.121782
C 4.974943 -1.978609 0.528959
C -3.582596 0.284027 0.286172
C -3.680972 -1.084999 0.028739
C -4.714310 1.102206 0.290372
C -4.936230 -1.642007 -0.237221
C -5.967691 0.535830 0.031942
C -6.078106 -0.832896 -0.234861
H 2.996942 -1.176007 -1.168246
H 3.521481 1.201821 -1.807634
H 3.059403 1.759904 -0.197977
H 2.427148 0.014595 1.628328
H 2.468501 -1.705213 1.236787
H 1.180003 2.091546 -1.748861
H 1.233752 0.401396 -2.281487
H 0.561234 -1.487099 -0.318568
H 0.124989 -0.822112 1.260419
H -1.326631 -0.232454 -1.287808
H -1.212231 1.527371 -1.504592
H 5.468034 0.717860 -1.603796
H 6.641950 -0.442321 -0.988096
H 5.331759 -0.990469 -2.033019
H 4.509654 0.301722 2.036976
H 4.925216 1.492478 0.799413
H 6.147068 0.366552 1.388226
H 4.707225 -2.729092 -0.221021
H 6.034813 -2.118391 0.765617
H 4.409301 -2.203563 1.439102
H 1.190256 1.711923 1.261471
H -2.796459 -1.719655 0.044128
H -4.627453 2.170483 0.492003
H -5.025314 -2.707392 -0.440454
H -6.857094 1.163381 0.036152
H -7.053774 -1.269790 -0.439075


%chk=000298585-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298585

0 1
S -2.261402 1.635389 0.819781
O 0.771523 2.386126 0.803108
C 2.979336 -0.371005 -0.316038
C 4.464063 -0.805734 -0.002130
C 0.436184 1.294746 -0.150665
C 2.857047 1.029337 -0.977640
C 2.027272 -0.433780 0.909601
C 1.398189 1.363959 -1.369515
C 0.565467 -0.086620 0.532475
C -0.993577 1.635511 -0.599961
C 5.282871 -0.856425 -1.323274
C 5.165755 0.168647 0.983295
C 4.472869 -2.234155 0.613825
C -3.480133 0.367954 0.270467
C -3.110882 -0.863149 -0.325422
C -4.848215 0.636979 0.528974
C -4.103771 -1.806182 -0.675477
C -5.834155 -0.319134 0.196997
C -5.468193 -1.541926 -0.412980
H 2.597447 -1.114490 -1.054782
H 3.486916 1.086001 -1.883682
H 3.231086 1.809957 -0.284978
H 2.392168 0.252938 1.704541
H 2.037726 -1.442022 1.361383
H 1.348080 2.379681 -1.805462
H 1.053136 0.649828 -2.145798
H 0.192199 -0.860054 -0.169844
H -0.086546 -0.109903 1.425479
H -1.355004 0.939981 -1.374438
H -1.005538 2.662958 -1.000224
H 5.412333 0.144915 -1.771559
H 6.292761 -1.264809 -1.131203
H 4.791346 -1.506978 -2.072184
H 4.630006 0.234804 1.948289
H 5.246639 1.188137 0.564000
H 6.192109 -0.183462 1.199215
H 3.912931 -2.946834 -0.022340
H 5.510918 -2.606102 0.704260
H 4.027132 -2.253882 1.624270
H 1.520626 2.094082 1.380723
H -2.055822 -1.098814 -0.500943
H -5.135326 1.594595 0.976559
H -3.807131 -2.754119 -1.138987
H -6.888092 -0.100150 0.402454
H -6.234647 -2.277996 -0.678967


