%chk=000035422.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035422

0 1
 O    5.158700     -0.8441000     -8.2000000E-03
 O   -5.417700      -1.576200       1.213000    
 O   -2.845300       1.784600     -0.1659000    
 N   -3.566800     -0.3863000     -0.5782000    
 C    1.219300      0.3979000     -9.8099999E-02
 C   -4.985600     -0.1122000     -0.6285000    
 C    1.566300     -0.8019000     -0.6974000    
 C    2.165900       1.190100      0.5309000    
 C  -0.1855000      0.8417000     -0.1302000    
 C    3.861200     -0.4347000     -3.7500001E-02
 C   -5.607100     -0.2447000      0.7527000    
 C    2.896200      -1.221200     -0.6668000    
 C    3.496000      0.7710000      0.5615000    
 C   -1.233800      3.4400001E-02 -0.3493000    
 C   -2.615700      0.5937000     -0.3498000    
 C    6.093900      7.8999996E-03  0.6517000    
 H   -5.421200     -0.8435000      -1.317000    
 H   -5.149900      0.8942000      -1.026100    
 H   0.8544000      -1.434900      -1.217400    
 H    1.895600       2.131100       1.003000    
 H  -0.3407000       1.902900      5.0000001E-02
 H   -3.275800      -1.349800     -0.7169000    
 H   -6.681800     -4.5699999E-02  0.7112000    
 H   -5.151800      0.4416000       1.473900    
 H    3.176100      -2.159000      -1.139200    
 H    4.193800       1.429800       1.067200    
 H   -1.133500      -1.033300     -0.5063000    
 H   -4.459500      -1.735100       1.260700    
 H    5.864900      0.1073000       1.718200    
 H    6.175200      0.9793000      0.1524000    
 H    7.075500     -0.4719000      0.5790000    


%chk=000035422-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035422

0 1
O 5.332194 -0.772641 -0.040647
O -5.793719 -1.545509 1.106910
O -2.929485 1.579206 0.259092
N -3.674235 -0.406198 -0.696811
C 1.208475 0.248383 0.034258
C -5.083787 0.024421 -0.699672
C 1.688320 -0.992824 -0.488265
C 2.170711 1.164526 0.541938
C -0.208536 0.617261 0.072257
C 3.995930 -0.364515 0.017165
C -5.750670 -0.138314 0.681495
C 3.054859 -1.297484 -0.498525
C 3.550431 0.875440 0.540246
C -1.282942 -0.116812 -0.351762
C -2.659959 0.433102 -0.230661
C 6.349619 0.145060 0.482549
H -5.627715 -0.583290 -1.444259
H -5.130020 1.089380 -0.995808
H 0.980861 -1.725924 -0.890822
H 1.826608 2.123749 0.947431
H -0.452556 1.604725 0.492712
H -3.425932 -1.291162 -1.140568
H -6.805753 0.176660 0.623745
H -5.224359 0.493692 1.422859
H 3.427707 -2.245847 -0.897147
H 4.256535 1.608297 0.941177
H -1.161628 -1.117432 -0.788851
H -4.862688 -1.841735 1.273161
H 6.189065 0.349174 1.558679
H 6.357718 1.097894 -0.081026
H 7.306252 -0.378285 0.341751