%chk=000179727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179727

0 1
S 3.826023 0.286934 0.047313
O -0.502649 -2.018893 -1.043943
N 0.011591 1.159523 0.575053
N 1.483666 -0.916246 -0.572263
N 1.381811 1.268895 0.473987
N 2.235818 -2.083211 -0.833902
C -2.150791 0.077083 -0.059989
C -0.675016 0.332114 -0.473537
C -3.004160 1.344586 -0.259631
C -2.251576 -0.441426 1.388327
C 0.058348 -1.012091 -0.696045
C -3.149681 1.740242 -1.725977
C -3.593686 -1.111363 1.668489
C 2.063817 0.252433 0.027698
C 4.207065 1.126901 1.595381
H -2.537415 -0.725135 -0.746186
H -0.673803 0.847112 -1.477048
H -4.011898 1.161513 0.170891
H -2.591225 2.188174 0.324530
H -1.433345 -1.167118 1.576626
H -2.078444 0.383732 2.105947
H -0.406965 2.101978 0.645647
H -3.606685 0.936664 -2.317153
H -3.788005 2.625059 -1.834780
H -2.184107 1.976005 -2.188296
H -4.434952 -0.426940 1.512428
H -3.646163 -1.466259 2.704307
H -3.751766 -1.981725 1.019201
H 2.941451 -1.888406 -1.554110
H 2.725248 -2.401358 0.010929
H 3.880720 0.549005 2.468862
H 3.728415 2.116847 1.647614
H 5.295559 1.263871 1.646630


%chk=000179727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179727

0 1
S 3.948573 0.143242 0.217693
O -0.369263 -2.220052 -0.924117
N 0.027993 0.889734 0.855124
N 1.514644 -1.094035 -0.148343
N 1.429406 1.112600 0.796995
N 2.365447 -2.202692 -0.421195
C -2.125476 -0.022012 -0.073581
C -0.599715 0.173392 -0.283255
C -2.895158 1.329032 -0.149611
C -2.435974 -0.793174 1.239907
C 0.142504 -1.163215 -0.458199
C -2.662262 2.151946 -1.437127
C -3.906243 -1.252378 1.356545
C 2.125120 0.115107 0.302801
C 4.203870 1.876275 0.915126
H -2.455671 -0.655072 -0.923167
H -0.446719 0.731421 -1.242392
H -3.974951 1.104083 -0.068577
H -2.656184 1.950240 0.740330
H -1.784951 -1.686075 1.283676
H -2.165170 -0.165174 2.110895
H -0.448377 1.751748 1.132375
H -2.846216 1.537412 -2.338442
H -3.347551 3.018318 -1.475617
H -1.632077 2.548163 -1.504437
H -4.607798 -0.401134 1.427666
H -4.049448 -1.872080 2.260601
H -4.199056 -1.863048 0.481510
H 2.098360 -2.631769 -1.318044
H 2.328131 -2.887951 0.346744
H 3.793209 1.931513 1.932925
H 3.703648 2.615146 0.273171
H 5.294556 2.028985 0.919022


