%chk=000063192.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063192

0 1
 O   0.4347000       3.234200       1.088600    
 O   -1.091100      -2.037100      -1.746200    
 O    3.593000      0.1106000      -2.874100    
 O  -0.5651000      -4.560300       2.262600    
 O   -5.551700       1.960000     -0.3321000    
 N   1.2000001E-03   1.292200     -0.1524000    
 N    2.038400      0.1905000      -1.115600    
 C   0.5903000      8.5699998E-02 -0.7843000    
 C   0.2707000      -1.173300      2.7000001E-02
 C    2.840000      0.9059000     -0.1677000    
 C    2.243400       1.842700      0.6846000    
 C   0.8054000       2.179100      0.5770000    
 C   -1.439000       1.466100     -0.1989000    
 C    2.607200     -0.3461000      -2.287700    
 C  -0.5518000      -2.163300     -0.5014000    
 C    4.218800      0.6669000     -2.8700000E-02
 C   0.8150000      -1.312000       1.300000    
 C    3.014900       2.534200       1.634800    
 C   -2.101000       2.042800      0.8808000    
 C   -2.148600       1.053300      -1.322700    
 C    4.981800       1.355000      0.9177000    
 C  -0.8330000      -3.303700      0.2510000    
 C    4.380400       2.290400       1.748300    
 C   0.5337000      -2.452300       2.052200    
 C    1.929000      -1.554600      -2.889400    
 C  -0.2903000      -3.448300       1.527800    
 C   -3.485200       2.208300      0.8364000    
 C   -3.532800       1.218900      -1.367300    
 C   -4.201300       1.796500     -0.2877000    
 C   -1.921500      -3.102400      -2.203700    
 C   -1.414700      -5.539300       1.666100    
 C   -6.171000       2.559300      0.8051000    
 H   0.1347000      2.7000001E-03  -1.769500    
 H    4.723500     -7.9899997E-02 -0.6365000    
 H    1.449200     -0.5566000       1.747200    
 H    2.567100       3.268600       2.299700    
 H   -1.593200       2.326300       1.796800    
 H   -1.676900      0.6427000      -2.207700    
 H    6.044800       1.151100       1.007900    
 H   -1.470200      -4.076900     -0.1503000    
 H    4.970600       2.825700       2.485700    
 H   0.9569000      -2.558400       3.047400    
 H   0.9876000      -1.269400      -3.362600    
 H    1.771300      -2.321200      -2.129100    
 H    2.578700      -1.985700      -3.658000    
 H   -3.942800       2.652500       1.713900    
 H   -4.084500      0.9054000      -2.249500    
 H   -2.821300      -3.208800      -1.587900    
 H   -1.362400      -4.039200      -2.303000    
 H   -2.260900      -2.832300      -3.209300    
 H   -1.524000      -6.353100       2.390600    
 H  -0.9623000      -5.974700      0.7684000    
 H   -2.419600      -5.144200       1.481300    
 H   -5.822000       3.586000      0.9593000    
 H   -6.050700       1.940900       1.701100    
 H   -7.244500       2.614500      0.5968000    


%chk=000063192-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063192

0 1
O 0.479930 2.917663 1.411850
O 0.115880 -2.683244 -1.639486
O 3.020934 -0.202296 -3.063736
O -0.492682 -4.482908 2.943729
O -5.577756 3.011213 -0.692904
N -0.201455 1.256661 -0.107858
N 1.527250 0.007452 -1.279689
C 0.146743 -0.052881 -0.727417
C -0.028224 -1.226395 0.254304
C 2.522250 0.361383 -0.308653
C 2.114100 1.270965 0.709817
C 0.749699 1.887048 0.719239
C -1.565265 1.725813 -0.216321
C 1.825855 -0.160871 -2.650679
C -0.026746 -2.558620 -0.244056
C 3.849560 -0.129088 -0.328635
C -0.218761 -1.052447 1.644155
C 3.038024 1.672405 1.703914
C -2.280788 2.172445 0.919484
C -2.211873 1.737218 -1.480638
C 4.755210 0.280385 0.673174
C -0.172982 -3.675852 0.611231
C 4.356080 1.178596 1.692819
C -0.370616 -2.142194 2.519311
C 0.659065 -0.254581 -3.630035
C -0.339954 -3.456739 2.001266
C -3.615578 2.614552 0.803199
C -3.545473 2.160813 -1.603779
C -4.255976 2.602499 -0.460164
C 0.177866 -4.029451 -2.214683
C -0.460020 -5.866015 2.464113
C -6.345104 3.498099 0.456162
H -0.536186 -0.217925 -1.570410
H 4.163677 -0.804118 -1.124639
H -0.254161 -0.041272 2.057367
H 2.696581 2.389417 2.457313
H -1.786877 2.201060 1.892665
H -1.666786 1.440675 -2.383245
H 5.780211 -0.106539 0.655401
H -0.162228 -4.689587 0.205620
H 5.068849 1.490843 2.463105
H -0.511921 -1.998305 3.593438
H 0.051713 0.669457 -3.626727
H 0.005892 -1.114029 -3.405475
H 1.092453 -0.377977 -4.633479
H -4.137972 2.961187 1.699502
H -4.048544 2.176200 -2.575033
H -0.763259 -4.585476 -2.038812
H 1.034804 -4.597836 -1.806404
H 0.321030 -3.875047 -3.294422
H -0.585207 -6.484345 3.364821
H 0.508990 -6.102779 1.982657
H -1.288648 -6.068395 1.757305
H -5.870795 4.391279 0.907273
H -6.460916 2.710497 1.226118
H -7.330997 3.767288 0.049828


