%chk=000182783.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182783

0 1
S 1.220631 -1.959422 0.221584
O -2.496989 0.194759 -1.133109
O 0.238830 -0.604283 0.548624
O -3.579797 -2.109965 -2.022753
O 0.971668 -2.229482 -1.175986
O 0.816513 -2.946765 1.195232
O -3.921687 2.076729 2.316213
O -8.099078 0.406209 1.526228
N -4.193370 0.773478 0.423719
N -6.029321 1.235591 1.909219
N 6.653761 1.554507 -0.276072
C -1.176012 -0.816127 0.616550
C -1.766171 0.508260 1.118878
C -1.760828 -1.017112 -0.806675
C -2.744625 0.977877 0.034328
C -2.704708 -2.224327 -0.896706
C -5.062859 0.033322 -0.398843
C -4.664874 1.417462 1.608313
C 2.757430 -1.317726 0.578725
C -6.375516 -0.128789 -0.090264
C 3.461220 -0.458765 -0.324817
C -6.961480 0.468757 1.113400
C 4.703498 0.101303 0.101094
C 3.303506 -1.638102 1.811741
C 5.404056 1.010380 -0.780705
C -7.297790 -0.911534 -0.961694
C 2.980323 -0.153671 -1.635795
C 5.243090 -0.272185 1.365542
C 4.559062 -1.127447 2.203835
C 4.901807 1.282489 -2.036552
C 3.688108 0.681376 -2.463167
C 6.417156 2.771107 0.560578
C 7.670971 1.814995 -1.334846
H -1.372512 -1.668946 1.304315
H -2.231328 0.415829 2.119624
H -0.951372 1.253857 1.259214
H -0.969664 -1.046191 -1.596359
H -2.619566 2.037345 -0.293107
H -3.411997 -2.288853 -0.046186
H -2.131083 -3.169063 -0.975390
H -4.604840 -0.413885 -1.308185
H -3.065388 -1.930063 -2.840505
H -6.382594 1.691436 2.762928
H 2.767676 -2.303724 2.504910
H -8.125244 -1.349342 -0.379417
H -6.784453 -1.736891 -1.474423
H -7.754536 -0.270558 -1.730397
H 2.050328 -0.606694 -2.001053
H 6.223889 0.121355 1.659458
H 4.976138 -1.416277 3.168130
H 5.412360 1.960574 -2.717193
H 3.321065 0.904849 -3.467361
H 7.352647 3.022151 1.087432
H 5.651058 2.560148 1.324361
H 6.092175 3.654291 -0.011141
H 7.449495 2.665427 -1.996626
H 7.796487 0.911138 -1.954506
H 8.638832 2.006686 -0.840242


%chk=000182783-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182783

0 1
S 1.421728 -2.391893 0.081396
O -2.378955 -0.427172 -1.088496
O 0.250398 -0.951357 0.469146
O -3.933341 -2.823805 -1.539894
O 1.215191 -2.792449 -1.478570
O 1.156228 -3.535298 1.204594
O -3.324264 2.548177 1.662985
O -7.897547 1.916384 0.868425
N -3.986807 0.804619 0.235736
N -5.606895 2.198679 1.222654
N 6.409780 2.006332 -0.332783
C -1.129681 -1.426740 0.705429
C -1.899188 -0.216855 1.279959
C -1.869556 -1.742686 -0.616677
C -2.528804 0.478227 0.039481
C -3.004609 -2.768651 -0.407166
C -5.007878 0.093590 -0.402060
C -4.246312 1.902042 1.082034
C 3.037646 -1.499032 0.440364
C -6.342189 0.396458 -0.237716
C 3.506811 -0.455832 -0.422997
C -6.718246 1.522429 0.627713
C 4.747901 0.185614 -0.004278
C 3.693807 -1.966683 1.574381
C 5.265654 1.302199 -0.784250
C -7.443706 -0.374435 -0.923178
C 2.869980 -0.056660 -1.639933
C 5.459053 -0.339430 1.121184
C 4.955229 -1.389018 1.895368
C 4.635362 1.619998 -2.004293
C 3.459159 0.939212 -2.422217
C 6.393821 2.654367 1.000615
C 7.211089 2.748769 -1.319162
H -1.103745 -2.288666 1.400097
H -2.684356 -0.555865 1.977404
H -1.228700 0.463237 1.824862
H -1.178384 -2.086504 -1.406675
H -2.024369 1.427861 -0.200094
H -3.642334 -2.502481 0.453319
H -2.547942 -3.762128 -0.212438
H -4.672607 -0.718100 -1.056546
H -3.427730 -2.992651 -2.374939
H -5.829109 2.993358 1.830757
H 3.260842 -2.773137 2.174594
H -8.173713 -0.751405 -0.184147
H -7.036443 -1.228581 -1.489906
H -8.009941 0.276860 -1.614233
H 1.948722 -0.544319 -1.966205
H 6.446442 0.072232 1.347695
H 5.527552 -1.781377 2.740999
H 5.021876 2.435166 -2.622510
H 2.985699 1.233278 -3.365195
H 7.383779 2.573800 1.488026
H 5.640550 2.189617 1.653032
H 6.140218 3.733437 0.909184
H 6.752560 3.720059 -1.616306
H 7.363277 2.137954 -2.224243
H 8.201095 2.966755 -0.880222


