%chk=000215958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215958

0 1
S 1.530462 2.468310 -0.113765
O -2.197265 -0.802600 -0.015555
O -2.988089 1.309740 -0.082212
N 2.939494 -0.021679 -0.034105
N -1.047985 3.384607 -0.144725
C 0.692444 -1.408355 0.007459
C 1.549348 -1.705917 1.271604
C 1.552105 -1.785462 -1.233369
C 0.514022 0.088706 -0.040214
C 2.864754 -0.881482 1.215755
C 2.867403 -0.959001 -1.227075
C 1.719968 0.745544 -0.059747
C -0.629092 0.952326 -0.068349
C -0.239563 2.300356 -0.110111
C -2.018632 0.560710 -0.057785
C -3.591344 -1.272485 -0.002851
C -3.461330 -2.779577 0.055563
H -0.273222 -1.954907 0.023715
H 1.767577 -2.784197 1.330418
H 0.974446 -1.452117 2.178824
H 0.979187 -1.589808 -2.156114
H 1.770421 -2.865275 -1.223143
H 2.945687 -0.208757 2.092732
H 3.752458 -1.541437 1.229337
H 3.755122 -1.618389 -1.196898
H 2.950226 -0.343217 -2.144770
H -2.063990 3.252412 -0.141766
H -0.692966 4.323528 -0.173891
H -4.085255 -0.835173 0.881809
H -4.077238 -0.904463 -0.922731
H -4.446003 -3.261630 0.069335
H -2.906063 -3.167192 -0.809411
H -2.914489 -3.099618 0.952936


%chk=000215958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215958

0 1
S 1.534146 2.558144 -0.126701
O -2.255163 -0.828442 -0.009541
O -2.994507 1.385398 -0.074698
N 2.971637 0.003516 -0.041295
N -1.135343 3.343420 -0.144365
C 0.799241 -1.443669 0.019055
C 1.678744 -1.735317 1.285601
C 1.667273 -1.824816 -1.231212
C 0.553121 0.058446 -0.034187
C 2.974583 -0.845528 1.216191
C 2.965498 -0.935730 -1.233146
C 1.749522 0.733166 -0.063225
C -0.617896 0.917328 -0.061790
C -0.259215 2.293953 -0.110630
C -2.022880 0.554382 -0.049803
C -3.689787 -1.239669 -0.001694
C -3.707899 -2.764981 0.037256
H -0.138842 -2.016227 0.043273
H 1.941039 -2.810448 1.302167
H 1.101326 -1.516223 2.201236
H 1.082859 -1.666722 -2.154919
H 1.926569 -2.899466 -1.177189
H 3.039656 -0.160817 2.077286
H 3.892405 -1.460336 1.198243
H 3.881872 -1.550147 -1.174298
H 3.028398 -0.316291 -2.142510
H -2.134148 3.080531 -0.131869
H -0.825509 4.310520 -0.179814
H -4.180391 -0.788322 0.879708
H -4.176628 -0.834493 -0.907310
H -4.752457 -3.126578 0.042900
H -3.199304 -3.188211 -0.846059
H -3.205321 -3.142868 0.944242


