%chk=000208118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208118

0 1
O 4.043802 1.542330 0.864385
O 2.917240 -2.662345 -0.641439
O -1.436385 -1.000824 -1.441402
N 1.855344 1.171569 0.261705
N 3.513456 -0.588918 0.111230
N -2.764426 0.821268 -0.898818
N -0.456223 0.800644 -0.318451
C -4.691092 -0.595585 -0.086841
C -4.007419 0.089505 -1.276030
C -5.379013 0.394438 0.861311
C 0.862813 0.283918 -0.222330
C 3.228071 0.742695 0.442548
C 1.202878 -0.999687 -0.535326
C 2.530927 -1.540688 -0.396737
C -1.558822 0.083688 -0.915224
C -6.073478 -0.325779 2.014234
C 1.560600 2.584499 0.607545
C 4.923762 -1.026908 0.295719
H -3.959045 -1.215041 0.470060
H -5.437510 -1.320330 -0.473365
H -4.683455 0.832012 -1.757749
H -3.753151 -0.669814 -2.056712
H -6.119455 1.000118 0.301319
H -4.641613 1.113421 1.266407
H -2.904368 1.535103 -0.185003
H 0.459419 -1.708704 -0.935092
H -0.602343 1.778866 -0.058134
H -5.366537 -0.913242 2.612128
H -6.561833 0.385179 2.690805
H -6.846263 -1.016012 1.655115
H 1.189791 3.141732 -0.267901
H 2.498415 3.090308 0.937411
H 0.850861 2.651835 1.447413
H 5.603586 -0.421441 -0.327071
H 5.020243 -2.090169 -0.000263
H 5.228325 -0.922042 1.350548


%chk=000208118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208118

0 1
O 4.003059 1.622437 0.922654
O 3.118648 -2.682915 -0.710302
O -1.495381 -1.239087 -1.336294
N 1.812579 1.108752 0.248897
N 3.563862 -0.523799 0.109674
N -2.721217 0.680948 -0.824899
N -0.415267 0.662729 -0.411199
C -4.821197 -0.551511 -0.132917
C -4.002712 0.099581 -1.272026
C -5.285293 0.441641 0.956489
C 0.896077 0.174283 -0.277119
C 3.188040 0.773896 0.453103
C 1.300377 -1.104453 -0.612340
C 2.671224 -1.530816 -0.431350
C -1.546722 -0.060546 -0.889217
C -6.130042 -0.237056 2.056251
C 1.417087 2.480014 0.623580
C 4.985190 -0.877589 0.318325
H -4.217403 -1.360300 0.322279
H -5.709358 -1.036067 -0.586901
H -4.593023 0.899849 -1.758800
H -3.756364 -0.658902 -2.034204
H -5.876035 1.254716 0.484834
H -4.400336 0.920987 1.424461
H -2.746188 1.583682 -0.348923
H 0.587538 -1.813506 -1.026615
H -0.563810 1.643106 -0.170287
H -5.551264 -1.028513 2.567670
H -6.459947 0.489546 2.820851
H -7.032989 -0.708842 1.625531
H 1.059819 3.054912 -0.252277
H 2.323210 2.972067 1.008940
H 0.654405 2.477502 1.425141
H 5.633642 -0.215817 -0.279232
H 5.102433 -1.924187 0.001194
H 5.254458 -0.761141 1.381020


