%chk=000212878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212878

0 1
O -0.861650 0.185272 -0.650554
O 3.074707 -2.613566 0.502611
N -1.369867 1.509141 1.246653
C -1.894695 0.415124 0.373128
C -2.076626 -0.911163 1.130047
C -3.168036 0.887198 -0.348139
C -2.679377 -1.987784 0.218580
C -3.755827 -0.223245 -1.225042
C -3.989573 -1.508810 -0.420672
C 0.143145 1.221567 -0.621158
C -0.345323 2.237375 0.445135
C 1.489094 0.612870 -0.289959
C 1.602176 -0.758238 -0.043261
C 2.624358 1.436795 -0.251543
C 2.870347 -1.278095 0.246712
C 3.878203 0.888642 0.045019
C 4.020846 -0.474088 0.301400
H -1.102915 -1.259353 1.523062
H -2.735085 -0.744349 2.005136
H -3.905076 1.221349 0.408264
H -2.938248 1.776391 -0.965111
H -1.948709 -2.238039 -0.578287
H -2.850218 -2.915220 0.794528
H -4.701504 0.120028 -1.682306
H -3.057927 -0.430225 -2.062808
H -0.952048 1.144722 2.110088
H 0.146478 1.639240 -1.652063
H -4.398553 -2.297390 -1.079134
H -4.752882 -1.334212 0.360882
H 0.469821 2.630646 1.080190
H -0.834236 3.110621 -0.037115
H 0.714424 -1.387995 -0.097544
H 2.538920 2.500084 -0.457016
H 4.755819 1.535379 0.074368
H 4.983948 -0.920844 0.532701
H 2.241288 -3.138726 0.419408


%chk=000212878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212878

0 1
O -0.857549 0.055832 -0.661841
O 3.273094 -2.594137 0.640628
N -1.270713 1.349939 1.302513
C -1.906635 0.359182 0.426435
C -2.213517 -0.961258 1.153892
C -3.161658 0.917669 -0.281417
C -2.842614 -2.006030 0.202772
C -3.789545 -0.125843 -1.233731
C -4.108001 -1.444080 -0.489126
C 0.150126 1.134756 -0.647078
C -0.390944 2.160169 0.424317
C 1.542009 0.592491 -0.319427
C 1.732949 -0.768505 0.005905
C 2.660171 1.466261 -0.341715
C 3.028896 -1.246414 0.314608
C 3.948209 0.976267 -0.027928
C 4.144992 -0.381029 0.305107
H -1.276851 -1.354187 1.597169
H -2.912670 -0.740932 1.985513
H -3.888180 1.204470 0.504354
H -2.899152 1.836878 -0.837322
H -2.097160 -2.278813 -0.568976
H -3.086743 -2.925186 0.769310
H -4.708330 0.291065 -1.689222
H -3.076131 -0.331954 -2.054695
H -0.724027 0.885101 2.043933
H 0.167045 1.602729 -1.650996
H -4.517301 -2.192127 -1.195031
H -4.892422 -1.256761 0.273992
H 0.416095 2.630803 1.006950
H -0.978098 2.953058 -0.070022
H 0.861126 -1.433923 -0.013106
H 2.528014 2.522167 -0.608219
H 4.808974 1.654096 -0.045935
H 5.134516 -0.779659 0.546620
H 2.437224 -3.120997 0.587967


