%chk=000118460.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118460

0 1
 O    2.801700      -1.116200      0.1661000    
 O   -3.344200     -0.8082000      0.3767000    
 O   0.6595000      -1.888700     -0.1696000    
 O   -2.077800      6.5899998E-02  -1.340500    
 N  -0.1244000       2.292000      0.3345000    
 C  -0.1199000      0.9397000      0.4459000    
 C    1.077300      0.4509000      2.1600001E-02
 C    1.852500       1.568900     -0.3733000    
 C   -1.321000      0.2030000      0.9740000    
 C    1.085000       2.694400     -0.1691000    
 C   -1.206900       3.187100      0.6801000    
 C    3.229400       1.546400     -0.9063000    
 C    1.449600     -0.9358000     -7.1000000E-03
 C   -2.258100     -0.1681000     -0.1533000    
 C    3.297800      -2.459200      0.1556000    
 C   -4.335000      -1.226300     -0.5680000    
 C    4.797500      -2.432500      0.3607000    
 C   -5.463000      -1.913100      0.1720000    
 H   -1.004900     -0.7146000       1.482000    
 H   -1.867200      0.8108000       1.702900    
 H    1.301000       3.740900     -0.3397000    
 H  -0.9503000       4.204500      0.3728000    
 H   -2.110500       2.867400      0.1556000    
 H   -1.349300       3.155300       1.763100    
 H    3.331400      0.8048000      -1.705300    
 H    3.507000       2.518900      -1.327200    
 H    3.947900       1.311600     -0.1144000    
 H    2.821500      -3.028200      0.9614000    
 H    3.061900      -2.925100     -0.8073000    
 H   -4.721600     -0.3515000      -1.102700    
 H   -3.885000      -1.921800      -1.285100    
 H    5.211100      -3.444800      0.3570000    
 H    5.283400      -1.848500     -0.4279000    
 H    5.047600      -1.951300       1.312000    
 H   -6.240000      -2.246500     -0.5216000    
 H   -5.088500      -2.779800      0.7267000    
 H   -5.911200      -1.235500      0.9061000    


%chk=000118460-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118460

0 1
O 2.958314 -1.140297 0.131207
O -3.462399 -0.817633 0.367689
O 0.878139 -1.881553 0.866965
O -2.518311 0.570114 -1.246538
N -0.159792 2.273394 0.194789
C -0.140094 0.912531 0.462603
C 1.189937 0.458037 0.248025
C 1.989447 1.598143 -0.175416
C -1.343981 0.138825 0.914364
C 1.122568 2.690050 -0.196708
C -1.343011 3.143685 0.215184
C 3.454799 1.652294 -0.523001
C 1.605630 -0.931068 0.451757
C -2.459743 0.019749 -0.122651
C 3.451631 -2.535777 0.313294
C -4.625424 -1.059089 -0.543217
C 4.921277 -2.538361 -0.097984
C -5.553446 -2.029425 0.179736
H -1.006210 -0.881926 1.172754
H -1.791259 0.560104 1.837672
H 1.317794 3.727403 -0.461233
H -1.018059 4.193433 0.296524
H -1.938802 3.007260 -0.703249
H -1.977977 2.909629 1.086923
H 3.694128 0.973885 -1.360658
H 3.748866 2.678667 -0.806563
H 4.083623 1.328674 0.325501
H 3.307713 -2.825402 1.370292
H 2.837301 -3.210868 -0.309995
H -5.107228 -0.087482 -0.757241
H -4.239618 -1.468242 -1.494263
H 5.341744 -3.554312 0.016875
H 5.035540 -2.232144 -1.152184
H 5.507948 -1.846221 0.530460
H -6.431791 -2.250368 -0.453933
H -5.034607 -2.978049 0.398737
H -5.910349 -1.600861 1.131883


