%chk=000213694.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213694

0 1
O -5.005260 -0.801193 0.207773
O 6.071166 2.874310 0.899201
O 0.485365 -3.633209 1.533224
N 5.887796 1.218926 -1.250206
N 1.873174 -0.827197 0.665071
C 3.885811 0.163426 -0.281930
C 4.947885 1.108192 -0.237158
C 2.953176 0.095739 0.816911
C 5.039642 1.983416 0.913632
C 3.084010 0.951507 1.896952
C 3.806179 -0.685355 -1.431947
C 4.127144 1.906948 1.948468
C -1.102970 -1.938250 1.059512
C -3.675974 -1.101318 0.432884
C 4.739075 -0.567731 -2.430912
C -1.333254 -0.617212 0.646196
C -2.185980 -2.842262 1.146778
C 0.242679 -2.453744 1.393769
C -2.621643 -0.184782 0.330337
C -3.476668 -2.435431 0.841639
C 5.779599 0.408394 -2.298862
C 1.355066 -1.453665 1.662986
C -5.352018 0.375126 -0.480771
C -4.815061 0.681983 -1.734800
C -6.357735 1.135612 0.126753
C -5.314762 1.804345 -2.401180
C -6.842119 2.248537 -0.564810
C -6.321265 2.584674 -1.820344
H 2.376773 0.918064 2.726392
H 2.992019 -1.414134 -1.493321
H 4.194128 2.567753 2.808176
H 4.707470 -1.196490 -3.318416
H -0.502491 0.088311 0.558073
H -1.989930 -3.875500 1.455655
H -2.797771 0.843327 0.021226
H -4.325416 -3.114135 0.905977
H 6.536578 0.514097 -3.086817
H 1.646209 -1.416040 2.723698
H -4.043297 0.057673 -2.180082
H -6.746887 0.851239 1.102183
H 6.080339 3.440402 1.716704
H -4.918551 2.068768 -3.381915
H -7.628783 2.858755 -0.120535
H -6.703548 3.456327 -2.348965


%chk=000213694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213694

0 1
O -4.911223 -0.615974 0.260301
O 6.789722 1.885598 0.631138
O 0.184108 -3.346561 3.021848
N 4.993011 1.909641 -1.439190
N 1.760784 -0.663664 1.253196
C 3.356657 0.604003 -0.095911
C 4.634904 1.259501 -0.270784
C 3.045312 -0.082634 1.140308
C 5.576773 1.235696 0.825656
C 3.997058 -0.068131 2.180398
C 2.440324 0.651692 -1.194553
C 5.242352 0.589347 2.028926
C -1.100519 -1.799224 1.689953
C -3.611899 -0.972938 0.670506
C 2.805446 1.314936 -2.367772
C -1.226072 -0.573655 0.976004
C -2.268939 -2.592813 1.891585
C 0.175006 -2.306203 2.275255
C -2.471664 -0.157577 0.468001
C -3.513685 -2.190566 1.388724
C 4.096338 1.926819 -2.444449
C 1.516815 -1.674099 2.051721
C -5.125521 0.294816 -0.812042
C -4.432840 0.183263 -2.039536
C -6.152006 1.245273 -0.631641
C -4.772052 1.057352 -3.095896
C -6.482967 2.109769 -1.698869
C -5.793242 2.022986 -2.930987
H 3.760294 -0.534828 3.142389
H 1.469175 0.161026 -1.084240
H 5.950866 0.598962 2.867104
H 2.124907 1.372108 -3.222931
H -0.339899 0.049040 0.833001
H -2.164381 -3.527657 2.451627
H -2.560117 0.795037 -0.062518
H -4.415600 -2.791686 1.535606
H 4.408420 2.448506 -3.357136
H 2.306893 -2.204761 2.621726
H -3.657847 -0.578743 -2.169904
H -6.673769 1.291098 0.328809
H 7.364051 1.803394 1.434853
H -4.243590 0.974408 -4.051935
H -7.278878 2.850422 -1.565619
H -6.052605 2.695223 -3.755523


