%chk=000056871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056871

0 1
 O    2.422300      0.6467000       1.294500    
 O   0.5550000       1.810400      0.4582000    
 O   -3.930600      -2.247600      0.5326000    
 O   -5.698900       1.365200     -0.1307000    
 O   -5.669100      -1.303500     -0.6443000    
 O   -3.378100       4.700500     -8.3200000E-02
 O   -5.377800       3.795500     -0.1219000    
 N    3.790300      -1.277200      -1.254900    
 N    3.980100     -0.4887000     -0.1036000    
 N   0.4190000     -0.2644000     -0.5883000    
 N   -4.128300       3.696200     -9.8499998E-02
 C    2.433300      -1.224100      -1.576600    
 C    1.741900     -0.5300000     -0.6641000    
 C    2.725900     -5.3300001E-02  0.3423000    
 C    5.241400      2.4100000E-02  0.2901000    
 C    4.538700      -2.524900      -1.372700    
 C    1.895500      -1.926000      -2.777800    
 C  -0.1097000      0.8986000     -2.7799999E-02
 C   -1.590300       1.023600     -5.5100001E-02
 C    5.414400      0.5648000       1.568100    
 C    6.322400     -7.8999996E-03 -0.5962000    
 C   -2.355000     -0.1242000     -7.0799999E-02
 C   -3.744700     -7.0000002E-03 -9.6400000E-02
 C   -2.152200       2.283300     -6.4000003E-02
 C    6.656100       1.068500       1.955900    
 C    7.564100      0.4957000     -0.2085000    
 C   -3.541900       2.400300     -8.9500003E-02
 C   -4.338100       1.255300     -0.1057000    
 C    7.730900       1.033900       1.067500    
 C   -4.555700      -1.216900     -0.1130000    
 C   -4.629900      -3.495900      0.5828000    
 C   -3.778400      -4.506600       1.335500    
 C   -4.452500      -5.864500       1.416100    
 H    4.010000      -3.335800     -0.8580000    
 H    5.542000      -2.477000     -0.9429000    
 H    4.646500      -2.799800      -2.427200    
 H    1.991800      -3.010800      -2.667800    
 H   0.8387000      -1.701500      -2.950600    
 H    2.445200      -1.618500      -3.673500    
 H  -0.1843000     -0.8321000      -1.176600    
 H    4.611500      0.5841000       2.297800    
 H    6.225600     -0.3826000      -1.611100    
 H   -1.896900      -1.107900     -4.6599999E-02
 H   -1.512500       3.161700     -5.7599999E-02
 H    6.788100       1.482200       2.951400    
 H    8.399100      0.4769000     -0.9027000    
 H    8.697500       1.426600       1.369200    
 H   -5.588100      -3.351800       1.095300    
 H   -4.815900      -3.844700     -0.4396000    
 H   -3.570600      -4.132700       2.345200    
 H   -2.802800      -4.603800      0.8441000    
 H   -4.632800      -6.272900      0.4166000    
 H   -3.819100      -6.570600       1.962200    
 H   -5.412400      -5.795500       1.937800    
 H   -5.978200       2.194600      0.2867000    


%chk=000056871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056871

0 1
O 1.580425 -1.620743 0.596367
O -0.216514 1.814984 -2.714348
O -3.350368 -1.868926 1.337188
O -6.179861 0.660115 -0.555239
O -5.450804 -0.903100 1.639445
O -4.758009 3.231185 -3.538937
O -6.520717 2.385346 -2.372324
N 3.951715 0.058713 -1.458754
N 3.632859 -0.918405 -0.461137
N 0.290931 0.171918 -1.126986
N -5.221780 2.455578 -2.633178
C 2.729521 0.587573 -1.955227
C 1.685935 0.024692 -1.225250
C 2.231282 -0.943941 -0.265986
C 4.622417 -1.400456 0.451631
C 5.047077 -0.300979 -2.391647
C 2.775424 1.553878 -3.102550
C -0.582865 0.994597 -1.811488
C -2.036530 0.871833 -1.428984
C 4.439472 -2.675220 1.043159
C 5.751004 -0.608251 0.783836
C -2.541712 0.015862 -0.412654
C -3.913193 -0.054509 -0.091866
C -2.944696 1.674248 -2.140911
C 5.396520 -3.153469 1.962413
C 6.709482 -1.109927 1.689870
C -4.321370 1.612795 -1.851816
C -4.851051 0.747098 -0.823577
C 6.538586 -2.382565 2.282440
C -4.362334 -0.946914 1.026895
C -3.627657 -2.787033 2.481391
C -2.427504 -3.726773 2.605128
C -2.614316 -4.712461 3.780518
H 4.759978 -1.138770 -3.057230
H 5.941767 -0.586584 -1.818787
H 5.288063 0.584172 -2.998825
H 3.087218 1.055952 -4.041298
H 1.770493 1.973645 -3.255970
H 3.489039 2.373984 -2.901023
H -0.073261 -0.460310 -0.399324
H 3.551287 -3.262138 0.797195
H 5.852234 0.398240 0.364262
H -1.889440 -0.632533 0.179710
H -2.571554 2.342863 -2.922278
H 5.250907 -4.135689 2.424698
H 7.580697 -0.496982 1.945611
H 7.281532 -2.764747 2.990393
H -3.777085 -2.175217 3.390920
H -4.568312 -3.329941 2.273549
H -1.507997 -3.129702 2.750177
H -2.303332 -4.282910 1.657351
H -3.517095 -5.336735 3.644151
H -1.745744 -5.389053 3.862027
H -2.715348 -4.177027 4.742988
H -6.662918 1.310737 -1.193617


