%chk=000215044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215044

0 1
S -1.012159 0.658813 -0.027747
O -0.698328 -3.148032 0.387467
N 1.692698 0.896087 -0.081050
N 0.735280 -1.329301 0.170986
C 3.109285 0.626632 -0.066353
C 5.890713 0.277032 -0.058169
C 3.957829 1.745239 -0.191776
C 3.646494 -0.662947 0.062970
C 0.692771 -0.024139 0.029482
C -1.675595 -0.950998 0.153058
C 5.339538 1.562412 -0.186796
C 5.031779 -0.826694 0.065950
C -4.071708 -0.280099 0.114101
C -2.971758 -1.253235 0.212168
C -0.546942 -1.963506 0.254162
C 7.370327 0.076437 -0.052062
C -5.027550 -0.221524 1.142168
C -4.187491 0.566859 -0.999134
C -6.082433 0.690044 1.059671
C -5.251620 1.469406 -1.078193
C -6.196802 1.534919 -0.049758
H 1.428208 1.881690 -0.181324
H 3.551176 2.749276 -0.292227
H 2.999656 -1.543458 0.161891
H 5.993704 2.428016 -0.283764
H 5.447393 -1.829900 0.166668
H -3.282251 -2.302792 0.351879
H 7.705270 -0.391454 0.885480
H 7.686979 -0.582412 -0.874050
H 7.929176 1.014836 -0.159726
H -4.941410 -0.879294 2.006268
H -3.455516 0.515009 -1.805406
H -6.818770 0.740934 1.860821
H -5.342800 2.123792 -1.944241
H -7.022542 2.241954 -0.112614


%chk=000215044-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215044

0 1
S -0.892151 1.017866 -0.287977
O -0.747392 -2.668586 1.174607
N 1.881900 0.969941 -0.342638
N 0.797514 -1.012439 0.474435
C 3.270581 0.637710 -0.252466
C 6.074763 0.122637 -0.134024
C 4.198416 1.625358 -0.669700
C 3.738336 -0.612705 0.226679
C 0.801471 0.208293 -0.010801
C -1.606836 -0.532769 0.350022
C 5.582090 1.364684 -0.608520
C 5.125976 -0.849851 0.278174
C -4.160562 -0.117427 0.258382
C -2.925672 -0.858021 0.518052
C -0.508143 -1.524133 0.713002
C 7.564408 -0.162603 -0.067577
C -5.394605 -0.771173 0.560141
C -4.217224 1.206113 -0.273339
C -6.631387 -0.134679 0.341987
C -5.455738 1.841689 -0.491166
C -6.668135 1.177718 -0.186185
H 1.679873 1.905471 -0.705365
H 3.843354 2.595486 -1.041896
H 3.017949 -1.368607 0.546730
H 6.287398 2.137784 -0.934560
H 5.479304 -1.819321 0.649965
H -3.053801 -1.872983 0.925882
H 7.885413 -0.385800 0.967279
H 7.833470 -1.039808 -0.685556
H 8.158328 0.695638 -0.425827
H -5.369265 -1.788710 0.968801
H -3.296573 1.744698 -0.519565
H -7.563895 -0.656998 0.581547
H -5.478619 2.857928 -0.899972
H -7.627947 1.677199 -0.357754


