%chk=000187278.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187278

0 1
O 3.376814 -1.609339 -1.792651
O -2.397724 -1.992787 -1.127727
O -0.225635 3.447263 0.442717
N 0.729651 1.543694 0.913219
N 0.782603 2.790433 0.446677
C 1.983252 0.737949 0.844921
C 2.035891 -0.109309 -0.431588
C -0.510779 0.875816 1.408690
C -1.206555 0.093612 0.286845
C 3.354048 -0.894857 -0.538801
C -2.508401 -0.542435 0.777393
C 3.506046 -1.995213 0.502953
C -3.072185 -1.509468 -0.248088
C -4.529245 -1.838006 -0.086643
H 2.859246 1.428378 0.885564
H 2.039281 0.090547 1.748465
H 1.911327 0.538918 -1.322165
H 1.172616 -0.813106 -0.470539
H -0.254243 0.209885 2.258631
H -1.193350 1.664518 1.807979
H -0.528051 -0.694970 -0.117137
H -1.415274 0.763630 -0.573063
H 4.228954 -0.204583 -0.532849
H -2.341176 -1.097601 1.724021
H -3.251115 0.242763 1.022836
H 4.335715 -2.663488 0.225143
H 3.708772 -1.597013 1.499936
H 2.611595 -2.629658 0.552995
H 3.210320 -1.013093 -2.544825
H -5.162620 -1.001453 -0.413588
H -4.802184 -2.070165 0.948819
H -4.808991 -2.704860 -0.705841


%chk=000187278-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187278

0 1
O 3.618035 -1.895848 -1.648575
O -3.067889 -1.458334 -1.568987
O -0.526003 3.144253 0.716563
N 0.706451 1.272347 0.900246
N 0.649975 2.625196 0.602617
C 2.040076 0.657237 0.786857
C 2.134815 -0.417701 -0.322031
C -0.492453 0.524826 1.339675
C -1.386783 0.060287 0.165244
C 3.588173 -0.891236 -0.565134
C -2.690685 -0.577085 0.680002
C 4.229722 -1.589198 0.639665
C -3.540956 -1.211834 -0.428397
C -4.989424 -1.527681 -0.074593
H 2.737136 1.489206 0.575247
H 2.318862 0.217117 1.763837
H 1.728906 0.009173 -1.261823
H 1.521428 -1.303645 -0.068550
H -0.149097 -0.338352 1.939415
H -1.072122 1.207236 1.991670
H -0.851468 -0.665544 -0.471108
H -1.629347 0.929422 -0.471320
H 4.204894 -0.009832 -0.855178
H -2.468712 -1.383561 1.413996
H -3.308420 0.161322 1.229938
H 5.215328 -1.991024 0.350423
H 4.375046 -0.891260 1.483277
H 3.600036 -2.433045 0.974372
H 3.221358 -1.504073 -2.468301
H -5.582657 -0.592290 -0.100552
H -5.077318 -1.937900 0.947938
H -5.418302 -2.232174 -0.804134


