%chk=000056245.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056245

0 1
 O   -3.569800      0.9155000       1.555600    
 O   -4.723200     -0.1770000     -0.7258000    
 O    5.395400      1.3400000E-02  0.2624000    
 N    1.440400      -1.391700      0.5977000    
 N    1.613600       1.724000      -1.057200    
 C   0.8256000     -0.3398000     -3.2600001E-02
 C    3.050300      2.0600000E-02  9.6000005E-03
 C    1.806200      0.5540000     -0.4086000    
 C    2.794600      -1.183100      0.6285000    
 C  -0.6055000     -0.2962000     -0.2076000    
 C   -1.410200      0.2941000      0.7670000    
 C    3.699700      -2.168000       1.252900    
 C   -1.184700     -0.8442000      -1.352200    
 C    4.359400      0.5880000     -0.1564000    
 C   -2.794200      0.3364000      0.5968000    
 C   -3.373100     -0.2117000     -0.5479000    
 C   -2.568400     -0.8020000      -1.522300    
 C    4.548200       1.937500     -0.8610000    
 C   -3.832000       2.310900       1.421500    
 C   -5.472100      -1.280700     -0.2205000    
 H   0.9663000      -2.198500      0.9809000    
 H  -0.9672000      0.7236000       1.663200    
 H    3.150800      -3.026300       1.654900    
 H    4.418900      -2.550400      0.5215000    
 H    4.253200      -1.713900       2.081100    
 H  -0.5714000      -1.307600      -2.121400    
 H   0.6802000       2.029600      -1.319700    
 H    2.329200       2.380000      -1.332900    
 H   -3.012600      -1.230200      -2.416800    
 H    4.049100       2.732200     -0.3020000    
 H    4.218000       1.874100      -1.900300    
 H    5.617700       2.175200     -0.8757000    
 H   -4.361000       2.515500      0.4853000    
 H   -2.898600       2.881600       1.458400    
 H   -4.465700       2.622200       2.256400    
 H   -5.342500      -1.370800      0.8627000    
 H   -5.167600      -2.208900     -0.7143000    
 H   -6.529900      -1.102500     -0.4323000    


%chk=000056245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056245

0 1
O -3.663386 -0.087289 1.825732
O -4.780535 0.297193 -0.863874
O 5.569085 -0.151673 0.369847
N 1.442220 -0.853113 1.018035
N 1.893273 1.366148 -1.798817
C 0.893999 -0.092461 -0.044520
C 3.216721 0.038880 -0.051912
C 1.994566 0.486553 -0.719372
C 2.814392 -0.804453 1.028448
C -0.548450 0.026721 -0.246298
C -1.450050 -0.063521 0.856085
C 3.630932 -1.566324 2.028264
C -1.109603 0.232868 -1.543825
C 4.624568 0.318626 -0.350776
C -2.842988 0.029229 0.678174
C -3.387377 0.201456 -0.628671
C -2.504456 0.320797 -1.723048
C 4.982080 1.191836 -1.559097
C -4.493621 1.105416 2.118197
C -5.540485 -0.934469 -0.543531
H 0.882674 -1.441005 1.635238
H -1.083604 -0.150345 1.885311
H 2.982452 -2.136197 2.720092
H 4.323389 -2.263067 1.524477
H 4.273469 -0.885392 2.612692
H -0.457824 0.241205 -2.424050
H 0.981395 1.752907 -2.032096
H 2.711215 1.870780 -2.123340
H -2.937346 0.449064 -2.720658
H 4.643315 2.236352 -1.404275
H 4.526468 0.803265 -2.489820
H 6.077090 1.201469 -1.673069
H -5.144130 1.355576 1.261206
H -3.843852 1.968073 2.359265
H -5.096707 0.832957 2.997648
H -5.400385 -1.221817 0.514425
H -5.216344 -1.762705 -1.201985
H -6.595061 -0.688640 -0.741201


