%chk=000291504.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291504

0 1
S 3.638613 0.754455 -0.819660
O -1.251866 -0.867645 2.938486
O 1.226677 1.214080 -1.296486
O 3.283666 -0.024082 -1.974063
O 3.490566 2.178499 -0.713468
N 2.799895 0.029526 0.569737
C -2.965917 -0.167221 0.840837
C -1.468386 -0.000195 0.733967
C -3.698016 1.024342 0.252068
C -3.431935 -1.485679 0.247920
C -0.674820 -0.517116 1.929688
C -0.842416 0.564702 -0.307394
C 1.424322 0.008947 0.730367
C 0.624625 0.667970 -0.398938
C 0.780218 -0.533279 1.792726
C -3.885057 2.160713 1.056319
C -4.536497 -2.125243 0.834880
C -4.178303 1.022917 -1.064287
C -2.805716 -2.071382 -0.860766
C -4.545550 3.280246 0.545637
C -5.003689 -3.335581 0.318158
C -4.840503 2.145803 -1.570093
C -3.275873 -3.284906 -1.372576
C 5.246384 0.327163 -0.332890
C -5.024975 3.275840 -0.768667
C -4.374079 -3.919584 -0.786248
C 5.799930 -0.889322 -0.746050
C 6.001411 1.217843 0.437684
C 7.103317 -1.225945 -0.370324
C 7.304848 0.882679 0.814234
C 7.853896 -0.339986 0.411008
H -3.208638 -0.206131 1.951106
H -1.385295 0.985511 -1.163374
H 1.308716 -1.000847 2.623214
H -3.514284 2.173731 2.080232
H -5.032396 -1.678660 1.695893
H -4.046301 0.145194 -1.697048
H -1.950865 -1.589656 -1.332592
H 3.341388 -0.406055 1.327351
H -4.686851 4.158936 1.173172
H -5.860011 -3.826143 0.778631
H -5.213127 2.137337 -2.593422
H -2.781551 -3.735284 -2.232179
H -5.539224 4.148968 -1.164835
H -4.737686 -4.863871 -1.185664
H 5.217682 -1.574899 -1.373223
H 5.576933 2.183442 0.737791
H 7.535844 -2.173163 -0.691237
H 7.894179 1.575298 1.414474
H 8.872520 -0.601467 0.703204


%chk=000291504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291504

0 1
S 3.800277 0.979714 -1.002111
O -1.196886 -1.235928 2.723412
O 1.139609 1.405657 -1.429106
O 3.632529 0.265528 -2.443531
O 3.756514 2.581317 -0.780751
N 2.785084 0.069192 0.338906
C -3.004919 -0.138342 0.822910
C -1.495850 0.013711 0.669989
C -3.783003 1.047570 0.228495
C -3.468196 -1.512317 0.301307
C -0.641435 -0.674822 1.716686
C -0.888219 0.708629 -0.342909
C 1.422555 0.022597 0.519142
C 0.572255 0.766956 -0.487420
C 0.808594 -0.654982 1.563040
C -3.794988 2.275636 0.942031
C -4.486600 -2.205683 1.002296
C -4.474122 0.973518 -1.005213
C -2.939969 -2.089550 -0.880435
C -4.476178 3.402278 0.434987
C -4.973720 -3.443531 0.530524
C -5.158466 2.101283 -1.516104
C -3.423329 -3.331143 -1.353851
C 5.454608 0.372622 -0.286903
C -5.160807 3.319477 -0.800828
C -4.443060 -4.011796 -0.651658
C 5.982089 -0.828946 -0.787780
C 6.098855 1.182070 0.663405
C 7.231470 -1.254908 -0.278473
C 7.347481 0.737283 1.158965
C 7.905258 -0.477073 0.693086
H -3.187221 -0.154369 1.916442
H -1.467281 1.254658 -1.095240
H 1.384007 -1.186633 2.328831
H -3.266956 2.345304 1.901611
H -4.893779 -1.773883 1.924268
H -4.493698 0.029662 -1.559995
H -2.143691 -1.576492 -1.431691
H 3.409877 -0.418031 0.989795
H -4.476462 4.340660 1.000902
H -5.760443 -3.966776 1.085526
H -5.690833 2.025597 -2.470997
H -3.001989 -3.765254 -2.267636
H -5.691840 4.192146 -1.197059
H -4.816016 -4.975485 -1.016181
H 5.448518 -1.390865 -1.561228
H 5.653416 2.130712 0.980332
H 7.676708 -2.185456 -0.644873
H 7.882003 1.341131 1.899283
H 8.874053 -0.811843 1.079102


