%chk=000022955.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022955

0 1
 O    4.478400      -1.734900      0.1707000    
 O   -5.997100      0.2334000     -2.3900000E-02
 O    6.047800      0.4600000     -0.3833000    
 O   -4.507400       2.426400      0.8050000    
 N   0.2304000      -1.418300     -0.1131000    
 C  -0.3273000     -0.1706000      0.4644000    
 C   0.4065000       1.015800     -0.2083000    
 C  -0.5639000      -2.589000      0.2688000    
 C   -1.843200     -5.4299999E-02  0.3165000    
 C    1.633400      -1.593900      0.2995000    
 C   -1.948400      -2.486800     -0.3661000    
 C   -2.612500      -1.172100     -5.8800001E-02
 C    1.907300      0.8593000     -0.2368000    
 C    2.493800     -0.3983000     -2.6100000E-02
 C   -2.508600       1.144200      0.6240000    
 C   -4.004900      -1.058100     -0.1854000    
 C    3.888700     -0.5267000     -6.5300003E-02
 C    2.721500       1.963500     -0.5224000    
 C   -3.896200       1.245300      0.5086000    
 C   -4.643300      0.1471000      9.6799999E-02
 C    4.691400      0.5801000     -0.3397000    
 C    4.108100       1.823400     -0.5713000    
 C   -6.510500      0.6391000      -1.291400    
 C    6.755900      0.6651000      0.8376000    
 H  -0.1239000     -0.1572000       1.546100    
 H   0.1748000       1.944500      0.3269000    
 H   5.9200000E-02   1.135600      -1.243700    
 H  -0.6444000      -2.671200       1.361000    
 H  -9.1499999E-02  -3.510100     -9.3900003E-02
 H    2.034500      -2.467100     -0.2299000    
 H    1.702800      -1.787100       1.378300    
 H   -2.566100      -3.313500      4.8000002E-03
 H   -1.870800      -2.590400      -1.455900    
 H   -1.950100       2.012200      0.9646000    
 H   -4.592800      -1.918100     -0.4983000    
 H    2.278300       2.939000     -0.7064000    
 H    4.727100       2.689400     -0.7899000    
 H    5.439300      -1.642100      5.3599998E-02
 H   -5.468400       2.309900      0.7102000    
 H   -6.247800     -9.3400002E-02  -2.061200    
 H   -6.128300       1.626900      -1.567600    
 H   -7.600100      0.6938000      -1.218000    
 H    6.415000     -3.3100002E-02   1.608600    
 H    6.628600       1.695900       1.183100    
 H    7.818700      0.4880000      0.6510000    


%chk=000022955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022955

0 1
O 4.332861 -2.028483 0.579972
O -5.976031 0.900162 -0.289741
O 6.114003 -0.046224 0.455219
O -4.394005 2.706091 0.908255
N 0.167825 -1.381699 -0.193116
C -0.341469 -0.123045 0.413485
C 0.495852 1.039900 -0.181092
C -0.757551 -2.525651 -0.070090
C -1.842526 0.076342 0.184869
C 1.525534 -1.706953 0.292192
C -2.032911 -2.232906 -0.875826
C -2.648037 -0.913058 -0.435364
C 1.988885 0.801366 -0.012533
C 2.466700 -0.519712 0.204000
C -2.444271 1.280397 0.637347
C -4.037532 -0.677428 -0.616136
C 3.851669 -0.727245 0.359297
C 2.907068 1.875316 -0.072030
C -3.814145 1.511981 0.457818
C -4.616711 0.525806 -0.182149
C 4.766515 0.356136 0.288202
C 4.298959 1.665723 0.072351
C -6.889405 -0.051342 -0.920435
C 7.138627 0.994477 0.391122
H -0.167841 -0.136068 1.524731
H 0.216370 1.998751 0.293681
H 0.238110 1.118966 -1.255031
H -1.022065 -2.743390 0.997225
H -0.248892 -3.421581 -0.472261
H 1.930521 -2.541901 -0.309331
H 1.509545 -2.070971 1.354602
H -2.761684 -3.057020 -0.748026
H -1.763456 -2.192643 -1.949609
H -1.857467 2.053526 1.143475
H -4.648863 -1.452126 -1.091919
H 2.531653 2.892682 -0.231968
H 4.989868 2.512516 0.020590
H 5.323944 -1.980829 0.645745
H -5.364028 2.678949 0.693338
H -6.929967 -0.999326 -0.349909
H -6.586679 -0.258223 -1.964982
H -7.876540 0.433733 -0.907629
H 6.990862 1.746429 1.190146
H 7.134108 1.495113 -0.596326
H 8.096595 0.475063 0.541238


