%chk=000217946.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217946

0 1
O 0.141585 2.445536 0.542595
O -3.964604 0.459053 -0.112514
N 0.172337 0.181052 0.107622
N -1.917425 1.442858 0.196187
N -0.180768 -2.288019 -0.215921
C -0.605524 -0.970640 -0.092895
C -2.016526 -0.939763 -0.166514
C -0.507007 1.448693 0.297893
C -2.768196 0.284889 -0.047166
C 1.622020 0.125939 0.059140
C -2.460188 -2.290903 -0.346459
C -1.339539 -3.100754 -0.374565
C -2.571666 2.773299 0.349056
C 2.252647 -0.497711 -1.030670
C 2.368603 0.694557 1.102712
C 3.647031 -0.573013 -1.051581
C 3.762623 0.614781 1.057727
C 4.402182 -0.024533 -0.009375
H 0.767614 -2.617797 -0.181102
H -3.490077 -2.587735 -0.438883
H -1.255898 -4.165009 -0.491215
H -3.659336 2.637021 0.503996
H -2.419802 3.383840 -0.556817
H -2.151403 3.316966 1.212748
H 1.670824 -0.886685 -1.864819
H 1.866193 1.216287 1.920090
H 4.148141 -1.052902 -1.892437
H 4.352532 1.058633 1.860638
H 5.489328 -0.085143 -0.034672


%chk=000217946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217946

0 1
O 0.146319 2.531725 0.429495
O -4.032488 0.427852 -0.065022
N 0.149821 0.206838 0.071435
N -1.917375 1.452821 0.177353
N -0.185015 -2.242391 -0.203531
C -0.628970 -0.938092 -0.102819
C -2.033712 -0.938389 -0.155208
C -0.505202 1.467416 0.242619
C -2.774898 0.300017 -0.027245
C 1.598053 0.138484 0.045694
C -2.457480 -2.310220 -0.301810
C -1.308541 -3.094527 -0.329940
C -2.566686 2.774710 0.340944
C 2.241377 -0.465208 -1.063064
C 2.356459 0.660896 1.118510
C 3.650421 -0.567089 -1.082976
C 3.764197 0.566241 1.082383
C 4.414979 -0.053476 -0.010411
H 0.790730 -2.535704 -0.177822
H -3.487043 -2.652658 -0.372934
H -1.182482 -4.169850 -0.429157
H -3.650685 2.614673 0.248026
H -2.208485 3.471527 -0.434137
H -2.322137 3.199415 1.328427
H 1.647878 -0.815080 -1.915187
H 1.848250 1.148817 1.953858
H 4.147703 -1.028442 -1.943009
H 4.353058 0.977497 1.909047
H 5.507655 -0.125004 -0.030720


