%chk=000003343.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003343

0 1
 O   -2.251300      0.8985000      -2.218400    
 O   -5.041100      -2.889300     -4.6300001E-02
 O   -6.439900       1.354200       1.633600    
 O    7.561300     -0.9925000       1.176600    
 N   0.2456000      0.9866000     -0.7906000    
 C    1.453500      0.3542000     -0.2521000    
 C    2.698400       1.074000     -0.8017000    
 C  -0.9468000      0.3654000     -0.2389000    
 C   -2.213600       1.025100     -0.7976000    
 C    1.424100      -1.129600     -0.6193000    
 C    3.999800      0.5208000     -0.2722000    
 C   -3.464900      0.3890000     -0.2327000    
 C    4.541000       1.051600      0.8874000    
 C    4.628300     -0.5075000     -0.9561000    
 C   -4.377700       1.178700      0.4447000    
 C   -3.669900     -0.9689000     -0.4057000    
 C   -4.823400      -1.555500      0.1150000    
 C   -5.531200      0.5923000      0.9654000    
 C    5.743300      0.5407000       1.376400    
 C    5.830600      -1.018500     -0.4672000    
 C    6.388200     -0.4945000      0.6991000    
 C   -5.754300     -0.7748000      0.8006000    
 H    1.460500      0.4449000      0.8425000    
 H    2.646200       2.145000     -0.5609000    
 H    2.709100       1.026300      -1.899800    
 H  -0.9886000     -0.6856000     -0.5290000    
 H  -0.9492000      0.4257000      0.8566000    
 H   0.2508000       1.981300     -0.5664000    
 H   -2.202100       2.098300     -0.5693000    
 H   0.6526000      -1.688500     -8.0799997E-02
 H    2.349500      -1.635200     -0.3316000    
 H    1.285300      -1.281900      -1.695700    
 H    4.044900       1.856100       1.422800    
 H    4.208300     -0.9182000      -1.869900    
 H   -4.210000       2.244000      0.5765000    
 H   -2.960400      -1.581500     -0.9544000    
 H   -1.424200       1.274300      -2.565200    
 H    6.166900      0.9574000       2.286300    
 H    6.329100      -1.823700      -1.000100    
 H   -6.651400      -1.238200       1.203600    
 H   -4.297300      -3.273200     -0.5417000    
 H   -7.174600      0.7867000       1.924000    
 H    7.799300     -0.5138000       1.989200    


%chk=000003343-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003343

0 1
O -1.836175 0.096384 -2.150661
O -5.678046 -2.760380 -0.536573
O -6.054179 1.288994 2.126916
O 7.756330 -0.871215 1.111572
N 0.214952 1.003688 -0.697420
C 1.452104 0.343502 -0.179577
C 2.673634 1.020541 -0.868886
C -1.048349 0.780116 0.050336
C -2.233714 0.852876 -0.969031
C 1.413374 -1.173439 -0.450264
C 4.016615 0.540916 -0.340997
C -3.518140 0.293455 -0.376758
C 4.485648 0.957609 0.930876
C 4.832194 -0.345793 -1.091817
C -4.226059 1.042876 0.590364
C -3.980413 -0.982482 -0.772036
C -5.154992 -1.502270 -0.183922
C -5.394183 0.496819 1.168043
C 5.721336 0.506685 1.442788
C 6.069365 -0.807706 -0.598677
C 6.512853 -0.379966 0.673001
C -5.872615 -0.777844 0.792301
H 1.552472 0.503793 0.920730
H 2.587122 2.117916 -0.719293
H 2.596242 0.836622 -1.957471
H -1.024828 -0.236164 0.479325
H -1.208204 1.495949 0.884087
H 0.376276 2.007166 -0.868360
H -2.397329 1.921094 -1.241840
H 0.548170 -1.654699 0.038571
H 2.329540 -1.653924 -0.065765
H 1.340380 -1.364277 -1.536693
H 3.882948 1.652015 1.529535
H 4.494832 -0.678712 -2.080620
H -3.903774 2.043269 0.896518
H -3.424457 -1.521511 -1.546915
H -0.832654 0.223635 -2.162161
H 6.067023 0.846331 2.428211
H 6.699331 -1.488780 -1.178297
H -6.781337 -1.212751 1.223677
H -5.121922 -3.176584 -1.240976
H -6.866371 0.831498 2.457798
H 7.979699 -0.515050 2.007060


