%chk=000164420.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164420

0 1
 O   -4.117700       1.758900     -0.4142000    
 O    4.695700       1.468000      -1.250600    
 N  -0.6792000      -1.170900      0.8520000    
 N   -2.275000      -1.816600     -0.7979000    
 N   -4.090400     -0.3599000      -1.514900    
 C    1.420600      -2.286900       1.396800    
 C   3.0300001E-02  -2.412600      0.7756000    
 C   -2.473300      0.3349000      0.1797000    
 C   -1.814800     -0.8876000      7.1599998E-02
 C    2.297100      -1.282800      0.6884000    
 C   -2.327200       1.526200      0.9307000    
 C   -3.586300      0.5221000     -0.6339000    
 C    3.097100      -1.700700     -0.3633000    
 C    2.285100      3.9900001E-02   1.102400    
 C   -3.349200       2.357200      0.5331000    
 C   -1.296200       1.835200       1.938700    
 C    3.906600     -0.7721000      -1.017700    
 C    3.094400      0.9685000      0.4478000    
 C    3.905200      0.5624000     -0.6122000    
 C   -3.369000      -1.499100      -1.527000    
 C    4.645900       2.815800     -0.7851000    
 H    1.335300      -2.010600       2.456300    
 H    1.911500      -3.268600       1.387800    
 H   0.1391000      -2.732500     -0.2684000    
 H  -0.5336000      -3.191600       1.301400    
 H  -0.4170000     -0.5020000       1.563000    
 H    3.103200      -2.737300     -0.6877000    
 H    1.671200      0.3649000       1.936800    
 H   -3.652600       3.355700      0.8132000    
 H   -1.321500       1.113300       2.760900    
 H  -0.3000000       1.828400       1.487100    
 H   -1.451500       2.829100       2.372500    
 H    4.535700      -1.094200      -1.843000    
 H    3.047100       1.987600      0.8160000    
 H   -3.711600      -2.265300      -2.214100    
 H    5.334800       3.397900      -1.406000    
 H    4.999700       2.897800      0.2482000    
 H    3.649700       3.251000     -0.9185000    


%chk=000164420-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164420

0 1
O -4.457555 1.480086 0.900068
O 5.031326 1.773232 -0.162265
N -0.683740 -1.150536 -0.374587
N -2.620597 -2.172636 0.520129
N -4.614307 -0.914097 1.195708
C 1.208500 -2.488393 0.604300
C 0.060538 -2.415814 -0.447119
C -2.613411 0.240933 0.272088
C -1.956634 -1.030381 0.136096
C 2.220178 -1.361965 0.451562
C -2.311060 1.644169 0.013557
C -3.926087 0.182821 0.809428
C 3.220760 -1.412489 -0.559340
C 2.172362 -0.210729 1.274482
C -3.441201 2.338392 0.404864
C -1.050465 2.239084 -0.561468
C 4.135213 -0.359884 -0.739972
C 3.083583 0.861067 1.110793
C 4.069595 0.783922 0.096846
C -3.887625 -2.057503 1.016433
C 5.027272 2.960611 0.695083
H 0.756594 -2.469251 1.612806
H 1.705431 -3.471076 0.486029
H 0.482686 -2.527384 -1.464714
H -0.664275 -3.227164 -0.274545
H -0.172120 -0.295114 -0.593642
H 3.289974 -2.295995 -1.206337
H 1.420267 -0.152684 2.071140
H -3.695225 3.394942 0.404448
H -0.162030 1.994520 0.053056
H -0.861093 1.874880 -1.589529
H -1.118759 3.339015 -0.613270
H 4.911869 -0.400845 -1.509836
H 3.022005 1.726810 1.777421
H -4.376670 -2.991961 1.305993
H 5.853368 3.585095 0.324934
H 5.207558 2.693121 1.754536
H 4.072973 3.516698 0.610323


