%chk=000003794.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003794

0 1
 O   -3.268500       2.413300      0.1482000    
 O   -5.032300      0.3368000     -0.3981000    
 O    6.696600      0.6961000     -0.5298000    
 N    1.277800      0.2019000      0.6174000    
 N   -1.453100      -2.798700     -0.2004000    
 N   0.7988000      -2.073400      0.2576000    
 C   -1.007300     -0.4698000      0.1603000    
 C   -1.887700      -1.529100     -0.1146000    
 C   0.3301000     -0.8138000      0.3366000    
 C   -1.473100      0.8536000      0.2477000    
 C   -2.823900       1.129700      6.0699999E-02
 C   -3.234400      -1.224100     -0.2972000    
 C   -3.705400      8.9500003E-02 -0.2119000    
 C    2.645500      0.3275000      0.3271000    
 C    3.482900       1.050500       1.181800    
 C    3.180100     -0.2709000     -0.8180000    
 C  -0.1337000      -3.001800     -1.0100000E-02
 C    4.842300       1.174000      0.8944000    
 C    4.539400     -0.1473000      -1.105500    
 C    5.370500      0.5752000     -0.2493000    
 C   -3.278100       3.180300      -1.054800    
 C   -5.866500      0.3005000      0.7579000    
 H  -0.8037000       1.685000      0.4529000    
 H   -3.939200      -2.025900     -0.5124000    
 H   0.9563000      0.8568000       1.324900    
 H    3.085500       1.521900       2.077400    
 H    2.551800     -0.8277000      -1.508300    
 H   0.2101000      -4.026600     -8.0799997E-02
 H    5.484800       1.737800       1.565300    
 H    4.938200     -0.6160000      -2.001100    
 H   -2.263500       3.280700      -1.453300    
 H   -3.663100       4.176900     -0.8225000    
 H   -3.931400       2.717900      -1.801300    
 H   -5.846800     -0.6944000       1.214000    
 H   -6.891200      0.5230000      0.4480000    
 H   -5.549700       1.054000       1.485800    
 H    6.888500      0.2206000      -1.356400    


%chk=000003794-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003794

0 1
O -3.352571 2.413778 0.452536
O -5.183239 0.220562 -0.150015
O 7.041053 0.522054 0.281257
N 1.387424 0.276201 0.053274
N -1.415381 -2.710247 -0.948130
N 0.885105 -1.935695 -0.650603
C -0.961350 -0.366384 -0.241941
C -1.867473 -1.438389 -0.583713
C 0.463221 -0.695621 -0.285345
C -1.501177 0.911966 0.086009
C -2.882674 1.128816 0.105711
C -3.273766 -1.208580 -0.532398
C -3.785073 0.039445 -0.172907
C 2.811342 0.244217 0.082577
C 3.467731 1.441615 0.487059
C 3.594741 -0.888278 -0.262289
C -0.081489 -2.867479 -0.961699
C 4.869078 1.515850 0.547394
C 5.001827 -0.811046 -0.201373
C 5.642457 0.383885 0.200981
C -4.131277 3.101715 -0.608410
C -5.747821 0.555735 1.180733
H -0.876599 1.783946 0.313334
H -3.951360 -2.033833 -0.765658
H 0.991144 1.171854 0.341064
H 2.876210 2.326393 0.757950
H 3.086821 -1.803533 -0.568338
H 0.298411 -3.853020 -1.250431
H 5.376467 2.433572 0.857418
H 5.596301 -1.694099 -0.470637
H -3.480182 3.306696 -1.478891
H -4.464400 4.047992 -0.156638
H -4.997283 2.492288 -0.921426
H -5.591447 -0.288703 1.877553
H -6.824048 0.706676 1.009533
H -5.285817 1.472478 1.588724
H 7.491693 -0.318827 0.019936


