%chk=000269352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269352

0 1
S -9.334599 0.203933 1.017898
S 9.334654 -0.204010 1.017879
O -3.419025 1.049610 -2.262404
O 3.419065 -1.049615 -2.262340
O -9.510365 0.000621 2.443151
O -9.948510 1.326952 0.339158
O 9.510438 -0.000704 2.443130
O 9.948536 -1.327039 0.339129
N -3.530570 -0.035335 -0.222867
N 3.530621 0.035373 -0.222832
N -9.986814 -1.201612 0.267879
N 9.986889 1.201525 0.267856
C -4.931219 0.050029 0.030559
C 4.931268 -0.050018 0.030585
C -7.658095 0.145042 0.640165
C 7.658148 -0.145084 0.640163
C -1.374562 0.211291 -1.324980
C 1.374608 -0.211240 -1.324959
C -5.402723 -0.513074 1.239948
C 5.402793 0.513069 1.239974
C -5.826090 0.663261 -0.864879
C 5.826118 -0.663260 -0.864866
C -6.762347 -0.458640 1.531624
C 6.762419 0.458608 1.531636
C -7.182792 0.707054 -0.550631
C 7.182821 -0.707079 -0.550632
C -2.855291 0.466820 -1.364339
C 2.855334 -0.466780 -1.364300
C -0.505119 1.309539 -1.336075
C 0.876178 1.097196 -1.332231
C -0.876134 -1.097144 -1.332472
C 0.505163 -1.309486 -1.336298
H -4.719809 -0.983004 1.943051
H 4.719895 0.983005 1.943088
H -5.464840 1.106325 -1.800324
H 5.464846 -1.106312 -1.800308
H -7.131271 -0.884313 2.473682
H 7.131360 0.884266 2.473693
H -7.878857 1.197411 -1.243044
H 7.878870 -1.197446 -1.243056
H -2.971706 -0.492502 0.504773
H 2.971767 0.492541 0.504814
H -0.905383 2.326192 -1.361914
H 1.557567 1.949640 -1.355447
H -1.557525 -1.949581 -1.355869
H 0.905430 -2.326133 -1.362313
H -10.623863 -1.074542 -0.515422
H -10.343162 -1.942454 0.867321
H 10.623934 1.074443 -0.515447
H 10.343250 1.942361 0.867296


%chk=000269352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269352

0 1
S -9.802086 -0.085327 0.468952
S 9.802167 0.086181 0.468926
O -3.179742 1.902276 -0.842789
O 3.179841 -1.902919 -0.843001
O -10.206419 -1.152075 1.632461
O -10.282188 1.471155 0.464699
O 10.206216 1.153008 1.632461
O 10.282684 -1.470173 0.464634
N -3.741504 -0.210170 0.017237
N 3.741520 0.209514 0.017274
N -10.381531 -0.844640 -1.108071
N 10.381417 0.845685 -1.108078
C -5.155599 -0.123019 0.094723
C 5.155651 0.122647 0.094718
C -7.933924 -0.104296 0.302949
C 7.934000 0.104659 0.302924
C -1.388263 0.317801 -0.446633
C 1.388347 -0.318557 -0.446619
C -5.842498 -1.246622 0.637267
C 5.842268 1.246409 0.637290
C -5.886259 1.021934 -0.330293
C 5.886629 -1.022095 -0.330347
C -7.243852 -1.244988 0.744500
C 7.243623 1.245148 0.744516
C -7.291882 1.026171 -0.223902
C 7.292256 -1.025958 -0.223963
C -2.834915 0.745766 -0.453394
C 2.834996 -0.746495 -0.453366
C -0.413638 1.347269 -0.469172
C 0.958336 1.035540 -0.465018
C -0.958244 -1.036294 -0.465309
C 0.413729 -1.348024 -0.469441
H -5.278446 -2.123783 0.977496
H 5.277987 2.123411 0.977548
H -5.349627 1.884783 -0.726574
H 5.350240 -1.885076 -0.726652
H -7.786597 -2.090247 1.178270
H 7.786143 2.090539 1.178310
H -7.873884 1.904228 -0.521504
H 7.874492 -1.903846 -0.521601
H -3.338371 -1.072288 0.390524
H 3.338267 1.071565 0.390589
H -0.760244 2.384705 -0.506334
H 1.679249 1.860305 -0.521896
H -1.679142 -1.861053 -0.522440
H 0.760340 -2.385450 -0.506818
H -10.852243 -0.113216 -1.666817
H -11.005348 -1.631649 -0.861609
H 10.852337 0.114401 -1.666832
H 11.005013 1.632861 -0.861594


