%chk=000186319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186319

0 1
O 5.279025 -1.445313 1.041983
O -1.901141 2.300103 1.233153
N 1.528483 -0.333463 -0.574218
N -0.709844 -1.148137 -0.721280
N -0.234086 1.030798 0.271137
N -3.869256 0.017971 0.490470
N -3.113605 -1.860560 -0.578567
C 2.524177 0.770526 -0.350407
C 3.913708 0.123869 -0.214019
C 2.492122 1.780776 -1.498239
C 0.169608 -0.085145 -0.329594
C 4.018962 -0.762116 1.031512
C -2.053226 -0.985643 -0.360301
C -2.496373 0.187066 0.302973
C -1.578342 1.281047 0.667866
C -4.203988 -1.223007 -0.051520
H 2.244030 1.289848 0.610345
H 4.679494 0.923961 -0.176311
H 4.174339 -0.474063 -1.110270
H 1.761044 -0.967809 -1.339759
H 1.499386 2.253462 -1.571937
H 3.206015 2.596331 -1.330249
H 2.724603 1.335942 -2.469873
H 3.290780 -1.596544 1.018585
H 3.901194 -0.186490 1.965963
H -0.398056 -2.033607 -1.112400
H -4.466447 0.692177 0.938472
H -5.206513 -1.632574 -0.054171
H 6.015711 -0.814505 1.152455


%chk=000186319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186319

0 1
O 5.211247 -1.518582 1.138765
O -1.921176 2.295898 1.335305
N 1.493942 -0.247073 -0.696968
N -0.699925 -1.132558 -0.696109
N -0.211914 1.030895 0.293460
N -3.826909 -0.026647 0.528050
N -3.079757 -1.875068 -0.575953
C 2.517883 0.793983 -0.432473
C 3.890052 0.112168 -0.221302
C 2.549431 1.845008 -1.565524
C 0.168437 -0.077831 -0.347572
C 3.948492 -0.769254 1.041426
C -2.037414 -0.987786 -0.342681
C -2.454516 0.165612 0.336061
C -1.551327 1.254250 0.710720
C -4.157995 -1.251978 -0.028751
H 2.191802 1.298876 0.495216
H 4.661923 0.905084 -0.158796
H 4.150646 -0.509681 -1.103360
H 1.759170 -1.022037 -1.307863
H 1.549386 2.294046 -1.687815
H 3.260339 2.655510 -1.321390
H 2.861003 1.391506 -2.525707
H 3.169819 -1.548528 1.009373
H 3.777909 -0.150551 1.948456
H -0.383650 -1.992098 -1.148353
H -4.440296 0.638078 0.999756
H -5.165431 -1.659239 -0.023404
H 5.960630 -0.877100 1.229234


