%chk=000238451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238451

0 1
O -0.113498 -1.097445 1.603638
N 2.870765 -0.054997 -1.111698
N -3.029045 -0.293153 -1.413005
C 0.002579 -1.352601 0.184341
C 0.499634 -0.070869 -0.523039
C -1.437339 -1.715932 -0.237441
C 0.946175 -2.535448 -0.032474
C 1.919307 0.286741 -0.196278
C -2.398136 -0.560195 -0.234717
C 2.244405 0.956854 1.002654
C -2.647224 0.187046 0.935771
C 3.578608 1.275703 1.257246
C -3.573794 1.226446 0.885990
C 4.164213 0.265050 -0.847850
C -3.929974 0.724684 -1.442819
C 4.560947 0.926640 0.324883
C -4.231714 1.506289 -0.317965
H 0.378538 -0.201138 -1.623958
H -0.169340 0.776318 -0.255665
H -1.822293 -2.495594 0.458939
H -1.415135 -2.193694 -1.243137
H 0.568464 -3.446308 0.445193
H 1.946205 -2.344591 0.374627
H 1.089566 -2.745661 -1.100738
H 0.763182 -1.004286 2.020233
H 1.459952 1.231489 1.704835
H -2.103238 -0.056915 1.851873
H 3.853089 1.795851 2.175148
H -3.785893 1.816871 1.776906
H 4.893362 -0.025375 -1.613655
H -4.414619 0.903625 -2.409315
H 5.606308 1.164916 0.498884
H -4.959657 2.309477 -0.381608


%chk=000238451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238451

0 1
O 0.004106 -1.038625 1.522891
N 3.069714 -0.328086 -0.947409
N -2.858649 -0.009177 -1.354941
C 0.036925 -1.424144 0.084695
C 0.608264 -0.247529 -0.778849
C -1.445491 -1.710998 -0.285624
C 0.874146 -2.710282 -0.077404
C 1.974296 0.230640 -0.332599
C -2.395819 -0.533071 -0.172608
C 2.112048 1.208048 0.691660
C -2.799642 -0.013300 1.086274
C 3.403224 1.621417 1.089706
C -3.709146 1.065089 1.128242
C 4.309683 0.082624 -0.551890
C -3.737212 1.035260 -1.297067
C 4.530049 1.048780 0.456907
C -4.194636 1.602993 -0.087146
H 0.673896 -0.587923 -1.826820
H -0.110782 0.589034 -0.734340
H -1.785199 -2.531652 0.374371
H -1.478886 -2.069679 -1.328781
H 0.486000 -3.494928 0.596253
H 1.937513 -2.529521 0.160441
H 0.833474 -3.082524 -1.116833
H 0.936018 -0.879771 1.824026
H 1.215405 1.645023 1.143058
H -2.383140 -0.449691 1.997474
H 3.527033 2.378236 1.872081
H -4.034895 1.477925 2.089498
H 5.153404 -0.384576 -1.073713
H -4.080855 1.421209 -2.264284
H 5.548708 1.343067 0.728709
H -4.905150 2.435930 -0.100178


