%chk=000296444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296444

0 1
O 2.521005 -0.043231 1.468781
O 2.462768 3.021004 0.314208
O 3.390923 0.689172 -1.873047
O 4.238235 -1.789360 -1.206558
O -3.001340 -2.854875 -0.131299
N 0.276799 0.252820 0.675368
N 0.034500 -1.085700 0.748924
N -1.014954 2.288438 0.007913
N -3.304553 1.782447 -0.683433
N -4.190943 -0.399688 -0.730802
N -1.155819 -3.699532 0.859073
C 2.144870 1.713824 -0.145486
C 1.562136 0.919989 1.067659
C 3.475578 0.998786 -0.485187
C 3.506192 -0.263575 0.417837
C 3.127254 -1.559328 -0.309518
C -0.865340 0.939909 0.221928
C -1.875689 -0.056945 0.006570
C -1.251618 -1.301127 0.359650
C -3.138509 0.420674 -0.472571
C -1.881618 -2.646412 0.331506
C -2.259456 2.625235 -0.436928
H 1.473306 1.758191 -1.033376
H 1.372149 1.546593 1.976724
H 4.350743 1.666672 -0.321492
H 4.458995 -0.373954 0.979836
H 2.196048 -1.453136 -0.896478
H 3.035956 -2.402845 0.396559
H 1.683125 3.617389 0.178456
H 4.036762 -0.037098 -2.106007
H 4.075762 -2.594788 -1.738082
H -2.447626 3.697426 -0.624054
H -4.102181 -1.418299 -0.618295
H -5.062352 -0.026046 -1.079077
H -0.246091 -3.582488 1.278909
H -1.557617 -4.625439 0.875788


%chk=000296444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296444

0 1
O 2.280125 -0.905346 0.467826
O 1.729388 2.675851 -0.067765
O 3.804761 0.862358 -1.979193
O 5.709221 -0.820177 -0.903640
O -3.879836 -2.526083 0.558766
N 0.036814 -0.089556 0.428510
N -0.430145 -1.365236 0.721618
N -0.934157 2.101088 -0.229661
N -3.367732 2.020872 -0.524477
N -4.623355 0.048134 -0.196523
N -1.913018 -3.660759 1.086073
C 1.959320 1.306121 -0.454587
C 1.449765 0.283316 0.616090
C 3.465927 0.981842 -0.563216
C 3.649403 -0.358107 0.229443
C 4.416656 -1.441261 -0.528368
C -1.006773 0.767032 0.080340
C -2.201129 -0.007304 0.126389
C -1.782436 -1.319808 0.523007
C -3.423206 0.678657 -0.201236
C -2.609125 -2.538435 0.721334
C -2.156887 2.642030 -0.517633
H 1.498294 1.050080 -1.431317
H 1.575777 0.727141 1.629447
H 4.051263 1.790238 -0.085267
H 4.128325 -0.156426 1.209137
H 3.845112 -1.732602 -1.429075
H 4.576018 -2.321189 0.122464
H 0.722293 2.802117 -0.146508
H 4.751930 0.548975 -2.017139
H 6.324497 -1.508814 -1.255471
H -2.163143 3.705620 -0.773109
H -4.647023 -0.960401 0.055485
H -5.456315 0.586011 -0.433903
H -0.898360 -3.607887 1.195791
H -2.414849 -4.533390 1.240371


