%chk=000225043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225043

0 1
O -1.773651 2.708170 0.000326
O -3.354245 -1.635867 -0.000987
N -1.067565 -1.381814 0.000788
N -2.567568 0.543529 -0.000260
N 1.074824 1.501061 0.002311
N 1.367452 -0.802728 0.002358
N 3.360624 0.631493 0.002906
C -0.210643 0.899928 0.001454
C 0.007823 -0.501505 0.001476
C -1.503002 1.523551 0.000723
C 1.997139 0.440602 0.002678
C -2.408849 -0.869726 -0.000034
C -0.839998 -2.847020 0.000642
C -3.974765 1.030438 -0.001930
C 4.270932 -0.549594 0.004396
C 5.719791 -0.085651 -0.012225
H 1.226377 2.492302 0.002023
H -1.809212 -3.382225 0.000976
H -0.265841 -3.143982 0.896182
H -0.266498 -3.143940 -0.895325
H 3.756690 1.560523 0.005273
H -4.510754 0.662364 0.889685
H -4.505926 0.670173 -0.899578
H -3.988023 2.137115 0.002783
H 4.056168 -1.172495 0.905936
H 4.040302 -1.186783 -0.883260
H 5.959957 0.504434 -0.905915
H 5.976604 0.517130 0.868193
H 6.397856 -0.951085 -0.012394


%chk=000225043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225043

0 1
O -1.774859 2.779998 0.000118
O -3.379731 -1.668823 -0.000335
N -1.050943 -1.360375 0.000141
N -2.560732 0.527502 -0.000255
N 1.064660 1.499136 0.000975
N 1.352792 -0.774070 0.001203
N 3.335933 0.602076 0.001028
C -0.224783 0.923474 0.000413
C -0.000073 -0.458659 0.000512
C -1.515771 1.533583 -0.000056
C 1.974687 0.446226 0.001264
C -2.388456 -0.881309 -0.000571
C -0.797763 -2.812525 0.000238
C -3.963652 0.998217 -0.000367
C 4.238303 -0.566658 0.003353
C 5.704654 -0.107861 -0.010364
H 1.243753 2.501857 0.000590
H -1.774343 -3.318266 0.000635
H -0.220160 -3.097119 0.895859
H -0.220880 -3.097435 -0.895762
H 3.742821 1.535852 0.004835
H -4.491477 0.621384 0.891207
H -4.490076 0.625791 -0.894672
H -3.936569 2.098022 0.002093
H 4.029651 -1.185806 0.896423
H 4.016461 -1.197553 -0.877982
H 5.933026 0.486692 -0.914590
H 5.945955 0.500168 0.881579
H 6.373570 -0.985122 -0.008311


