%chk=000001307.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001307

0 1
 O    3.207400      0.2432000     -0.4322000    
 O  -0.9480000      0.8260000      -1.560800    
 O    1.702500     -0.5631000       1.104100    
 O   -4.823000      -2.474400     -0.5680000    
 N    1.302400       1.389000     -8.5600004E-02
 N   -2.150900      0.6584000      0.4170000    
 N   -3.965200     -0.8343000      0.8584000    
 C    4.072800     -0.8640000     -0.1569000    
 C   1.8400000E-02   1.718400      0.4746000    
 C    4.467200     -0.8180000       1.318600    
 C    5.305000     -0.7174000      -1.047000    
 C    3.326000      -2.157100     -0.4811000    
 C   -3.330800      1.3600000E-02 -0.1380000    
 C   -1.049400       1.012900     -0.3500000    
 C  -0.2115000       3.221800      0.4854000    
 C    2.038500      0.2761000      0.2749000    
 C   -4.316000       1.058800     -0.6555000    
 C   -4.645500      -1.990000      0.5424000    
 H  -9.3000000E-03   1.339800       1.503300    
 H    3.687600      -1.149500       2.008900    
 H    5.325900      -1.473900       1.505400    
 H    4.750300      0.1982000       1.616700    
 H    5.815100      0.2326000     -0.8505000    
 H    5.019900     -0.7024000      -2.105200    
 H    6.019600      -1.532400     -0.8925000    
 H    2.795700      -2.075300      -1.437100    
 H    4.029200      -2.995000     -0.5587000    
 H    2.592200      -2.459700      0.2701000    
 H   -3.016400     -0.6174000     -0.9777000    
 H    1.673700       1.978200     -0.8252000    
 H   -2.164900      0.8834000       1.407000    
 H   -1.183400       3.466700      0.9267000    
 H  -0.1967000       3.633900     -0.5301000    
 H   0.5667000       3.731600       1.063200    
 H   -3.853900       1.689900      -1.422000    
 H   -5.200100      0.5829000      -1.093000    
 H   -4.656700       1.714100      0.1543000    
 H   -3.915000     -0.5472000       1.831100    
 H   -5.044100      -2.466400       1.453200    


%chk=000001307-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001307

0 1
O 2.705910 0.046938 -0.254919
O -2.079024 2.377120 -1.448244
O 0.966152 0.306160 1.343696
O -5.003101 -1.404332 -1.185145
N 1.165505 1.684214 -0.532383
N -1.644759 0.839039 0.260012
N -2.724529 -0.950089 -0.936595
C 3.360514 -1.145990 0.442837
C 0.044850 2.580997 -0.167391
C 3.848778 -0.708500 1.837346
C 4.535580 -1.452193 -0.500756
C 2.359736 -2.316859 0.502055
C -2.896585 0.095765 0.115558
C -1.331063 1.934306 -0.529026
C 0.209997 3.940121 -0.859699
C 1.569357 0.646032 0.276161
C -3.322288 -0.525145 1.458161
C -3.797901 -1.578938 -1.527357
H 0.078565 2.701845 0.932606
H 3.000304 -0.457226 2.492735
H 4.422523 -1.532190 2.299881
H 4.514317 0.168923 1.754521
H 5.207131 -0.580318 -0.580132
H 4.169739 -1.705590 -1.510592
H 5.114804 -2.308092 -0.111271
H 1.977049 -2.550462 -0.507611
H 2.872874 -3.215978 0.889107
H 1.513551 -2.082472 1.166836
H -3.677972 0.788200 -0.247603
H 1.681651 1.856114 -1.396928
H -0.947008 0.533821 0.959861
H -0.592989 4.624731 -0.542760
H 0.124707 3.836008 -1.955410
H 1.184594 4.389449 -0.600478
H -3.501911 0.268663 2.204218
H -4.255537 -1.092453 1.312668
H -2.544395 -1.210057 1.842886
H -1.781357 -1.097115 -1.303339
H -3.492470 -2.272445 -2.345305


