%chk=000279196.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279196

0 1
P -0.466736 -0.836038 0.218123
O -0.641274 -1.139708 -1.225844
N -1.956220 -0.505947 1.090910
N 0.426643 0.659091 0.563105
N 2.072187 -5.183678 3.478230
C 0.301252 -2.121477 1.250791
C -3.050973 0.210233 0.546703
C 1.717781 0.872276 0.001509
C -3.159783 0.526992 -0.796453
C 2.649608 -0.140302 -0.146929
C -4.277734 1.274252 -1.265068
C 3.956856 0.156212 -0.634802
C 0.916283 -1.818439 2.468280
C 0.261757 -3.434266 0.769246
C -5.286253 1.689038 -0.354477
C 4.305257 1.493066 -0.962624
C -4.078950 0.617684 1.470894
C 2.069425 2.228763 -0.335809
C -5.158156 1.332637 1.024438
C 3.323158 2.521057 -0.799809
C 1.483269 -2.833637 3.231955
C 0.822729 -4.465364 1.516023
C 1.443964 -4.167736 2.754195
C -4.411008 1.621271 -2.650437
C 4.939138 -0.874891 -0.800192
C -6.401325 2.443015 -0.836907
C 5.619137 1.778267 -1.447622
C -5.492027 2.344722 -3.084431
C 6.192945 -0.571901 -1.267616
C -6.501423 2.763722 -2.167390
C 6.540409 0.771374 -1.595893
H -2.044186 -0.783719 2.077915
H -0.145029 1.524058 0.622836
H -2.424358 0.187926 -1.535666
H 2.430930 -1.177275 0.100246
H 0.970320 -0.787896 2.836459
H -0.203652 -3.671089 -0.196589
H -3.988559 0.348875 2.519990
H 1.324840 3.013303 -0.220546
H -5.940493 1.643044 1.717835
H 3.593336 3.545671 -1.057617
H 1.970392 -2.602138 4.173907
H 0.798681 -5.484858 1.143466
H -3.636851 1.293809 -3.343686
H 4.665790 -1.898596 -0.550602
H -7.166453 2.755211 -0.128063
H 5.871977 2.807634 -1.696999
H -5.599424 2.610874 -4.135141
H 6.942779 -1.351011 -1.397276
H -7.345379 3.336660 -2.544264
H 7.542227 0.978252 -1.964910
H 1.879058 -6.144095 3.250444
H 2.336418 -5.018227 4.434266


%chk=000279196-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279196

0 1
P -0.461008 -1.269550 0.362434
O -0.454907 -1.890198 -1.114898
N -2.017867 -0.844535 1.069330
N 0.301096 0.310200 0.509455
N 1.920789 -5.116073 4.416302
C 0.263410 -2.404473 1.620029
C -3.008409 -0.011617 0.484830
C 1.557548 0.701739 -0.013686
C -2.872941 0.523406 -0.806044
C 2.327500 -0.126986 -0.844813
C -3.875449 1.391911 -1.342705
C 3.606206 0.305322 -1.319707
C 0.679196 -1.947020 2.894133
C 0.420368 -3.771121 1.279328
C -5.048022 1.712869 -0.553076
C 4.107105 1.615233 -0.952610
C -4.176614 0.300331 1.265952
C 2.052487 2.005506 0.345050
C -5.166203 1.135802 0.754246
C 3.289716 2.445454 -0.116805
C 1.226240 -2.843618 3.827130
C 0.968562 -4.673925 2.204626
C 1.377749 -4.225434 3.497651
C -3.758032 1.954615 -2.658634
C 4.413931 -0.523600 -2.170241
C -6.047625 2.581726 -1.099968
C 5.386081 2.041035 -1.438051
C -4.748577 2.798532 -3.166410
C 5.657212 -0.082185 -2.629838
C -5.903636 3.118206 -2.382244
C 6.151475 1.210340 -2.260967
H -2.292588 -1.382168 1.894329
H -0.276432 1.037836 0.936792
H -2.012947 0.250910 -1.428317
H 1.936866 -1.099364 -1.165003
H 0.599347 -0.883522 3.147784
H 0.119679 -4.108006 0.280785
H -4.276977 -0.123867 2.272898
H 1.442507 2.650334 0.990337
H -6.052312 1.364804 1.358531
H 3.653524 3.441836 0.161812
H 1.552373 -2.481274 4.809257
H 1.089887 -5.729238 1.932879
H -2.875666 1.709870 -3.261611
H 4.036369 -1.512457 -2.456525
H -6.931660 2.819540 -0.495480
H 5.756703 3.034166 -1.155169
H -4.645701 3.220903 -4.172243
H 6.261817 -0.725816 -3.278874
H -6.671979 3.781924 -2.793692
H 7.128260 1.543331 -2.628831
H 2.048937 -6.095853 4.179543
H 2.234911 -4.799079 5.329102


