%chk=000185773.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185773

0 1
S -0.467641 -0.834985 0.701923
O 0.010266 1.539246 -0.407805
N 1.878352 0.303394 0.100476
C 2.493649 -0.948465 0.610010
C 2.802419 1.353120 -0.422353
C 2.580559 -2.021734 -0.489236
C 3.329955 2.236568 0.720325
C 0.521635 0.532971 0.029230
C 3.278190 -3.274347 0.029504
C 4.307341 3.280947 0.191969
C -2.147397 -0.421826 0.356282
C -2.634892 0.882338 0.427410
C -2.985188 -1.505197 0.070973
C -4.000085 1.106091 0.212262
C -4.347905 -1.269324 -0.131778
C -4.854738 0.034121 -0.061524
H 1.931726 -1.330915 1.492909
H 3.513109 -0.709245 0.991997
H 2.253972 1.980640 -1.166253
H 3.638016 0.863139 -0.965894
H 1.564227 -2.277996 -0.853581
H 3.118628 -1.621737 -1.370654
H 2.478041 2.735420 1.227236
H 3.817756 1.615721 1.496107
H 2.740325 -3.717396 0.876583
H 3.335960 -4.042314 -0.751842
H 4.302937 -3.068132 0.358453
H 3.835150 3.941019 -0.546340
H 4.676977 3.918962 1.004001
H 5.180419 2.822090 -0.285423
H -1.963909 1.724089 0.624197
H -2.591938 -2.519496 0.003409
H -4.393138 2.120654 0.258434
H -5.014914 -2.101509 -0.349767
H -5.916366 0.212587 -0.224141


%chk=000185773-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185773

0 1
S -0.475953 -1.035255 0.781228
O -0.007747 1.439913 -0.431022
N 1.900937 0.198147 0.089557
C 2.539242 -1.023684 0.630200
C 2.787150 1.259315 -0.459574
C 2.763247 -2.122275 -0.436000
C 3.200228 2.305766 0.600883
C 0.541734 0.412589 0.037602
C 3.465689 -3.359840 0.161421
C 4.149545 3.369777 0.010294
C -2.189396 -0.471407 0.418761
C -2.662835 0.790779 0.843752
C -3.049703 -1.378771 -0.242770
C -4.008995 1.143939 0.598045
C -4.399672 -1.023584 -0.468544
C -4.880849 0.239036 -0.051813
H 1.929174 -1.424026 1.460762
H 3.510996 -0.724984 1.069123
H 2.251850 1.760589 -1.284899
H 3.683304 0.764898 -0.881530
H 1.783437 -2.409011 -0.860953
H 3.367239 -1.708037 -1.267220
H 2.285408 2.788131 0.992047
H 3.688781 1.795759 1.454962
H 2.861883 -3.806414 0.973399
H 3.620202 -4.137083 -0.607991
H 4.456545 -3.099594 0.580206
H 3.669406 3.908822 -0.827587
H 4.430157 4.117318 0.773532
H 5.081785 2.911854 -0.371822
H -1.988453 1.489673 1.344601
H -2.665913 -2.347183 -0.580073
H -4.374981 2.125454 0.919005
H -5.066712 -1.728561 -0.976960
H -5.925231 0.516446 -0.233523


