%chk=000209965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209965

0 1
S -1.499358 1.331763 -1.314517
O -2.361082 2.465827 -1.608742
O -0.598380 0.844399 -2.327379
N -0.547879 2.028283 -0.026073
N 0.476405 0.014006 0.498867
N 1.331118 2.117759 1.467223
C -2.436471 0.071295 -0.640894
C -3.708821 0.353972 -0.120268
C -1.953325 -1.241992 -0.616693
C -4.001700 -1.985424 0.450125
C -4.488347 -0.662856 0.421683
C -2.732441 -2.268065 -0.075161
C 1.521307 -0.848119 1.068770
C 2.929170 -0.502212 0.635643
C 0.474916 1.317060 0.644914
C -4.844585 -3.068556 1.035388
C 3.967571 -0.477863 1.577011
C 3.203602 -0.221504 -0.711320
C 5.271379 -0.175176 1.172100
C 4.506743 0.083256 -1.110095
C 5.542907 0.107215 -0.169787
H -4.095072 1.379850 -0.150180
H -0.959014 -1.469131 -1.023938
H -0.733496 2.993264 0.271138
H -5.474385 -0.438809 0.822684
H -2.346946 -3.285186 -0.060379
H 1.277478 -1.879847 0.705816
H 1.439217 -0.887941 2.179719
H -5.083573 -2.863108 2.089857
H -5.802577 -3.162075 0.501641
H -4.361865 -4.054526 1.002390
H 3.766733 -0.702606 2.622631
H 2.392653 -0.239717 -1.445265
H 6.076537 -0.161891 1.904698
H 4.715514 0.300133 -2.157141
H 6.557933 0.342125 -0.483651
H 2.220315 1.690192 1.712618
H 1.461119 3.083107 1.190766


%chk=000209965-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209965

0 1
S -1.281942 1.240551 -0.857233
O -2.102384 2.568453 -1.325048
O -0.116268 0.631977 -1.806051
N -0.557869 1.792443 0.775347
N 0.739605 -0.106914 1.213533
N 1.594253 2.116377 1.705019
C -2.538246 -0.084369 -0.388459
C -3.867467 0.162165 -0.764118
C -2.104273 -1.242169 0.274222
C -4.443037 -2.038738 0.192222
C -4.819892 -0.837682 -0.463907
C -3.081797 -2.219099 0.561596
C 2.018960 -0.747213 1.590992
C 3.230483 -0.377858 0.721685
C 0.643543 1.201916 1.237938
C -5.469597 -3.118214 0.483358
C 4.531252 -0.375540 1.286722
C 3.076676 -0.077897 -0.657252
C 5.664911 -0.089656 0.490553
C 4.209879 0.209875 -1.450598
C 5.506457 0.203988 -0.883111
H -4.141372 1.096972 -1.263262
H -1.054370 -1.328153 0.588402
H -0.705283 2.807298 0.862529
H -5.867447 -0.678854 -0.743838
H -2.781875 -3.133467 1.086807
H 1.851848 -1.838508 1.513119
H 2.269488 -0.554567 2.659979
H -6.499275 -2.725048 0.433642
H -5.392603 -3.941872 -0.252254
H -5.318959 -3.560682 1.484142
H 4.661673 -0.608956 2.352188
H 2.073532 -0.057618 -1.100297
H 6.664294 -0.093715 0.940870
H 4.078081 0.440911 -2.513820
H 6.381750 0.427742 -1.503521
H 2.499205 1.765040 2.014833
H 1.551365 3.097982 1.437268


