%chk=000061719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061719

0 1
 O   -1.232900      -2.670000      9.0999998E-02
 O   -1.233500       2.669600     -9.2799999E-02
 N    1.373400      -2.806200      9.4599999E-02
 N    1.372700       2.806600     -9.4400004E-02
 C   7.9700001E-02 -0.6978000      2.3600001E-02
 C   7.9499997E-02  0.6978000     -2.3800001E-02
 C    1.293300      -1.395500      4.7200002E-02
 C    1.292900       1.395800     -4.7100000E-02
 C   -1.193300      -1.446800      4.9500000E-02
 C   -1.193600       1.446500     -4.9600001E-02
 C   -2.466400     -0.6981000      2.3800001E-02
 C   -2.466500      0.6975000     -2.4000000E-02
 C    2.610600      -3.497900      0.1179000    
 C    2.609800       3.498500     -0.1177000    
 C    2.500200     -0.6961000      2.3499999E-02
 C    2.500000      0.6966000     -2.3399999E-02
 C   -3.679700      -1.396100      4.7899999E-02
 C   -3.680200       1.395300     -4.7699999E-02
 C    3.204200      -3.567700      -1.286300    
 C    2.400800      -4.894500      0.6942000    
 C    3.203100       3.568500       1.286700    
 C    2.399800       4.895000     -0.6940000    
 C   -4.886800     -0.6969000      2.4200000E-02
 C   -4.887100      0.6958000     -2.3300000E-02
 H    3.329500      -3.031100      0.8016000    
 H    3.328900       3.032000     -0.8012000    
 H   0.5139000      -3.333100     -3.9999999E-04
 H   0.5131000       3.333300      6.0000003E-04
 H    3.479300      -1.160000      4.3499999E-02
 H    3.479100       1.160800     -4.3299999E-02
 H   -3.709300      -2.481700      8.5000001E-02
 H   -3.709900       2.480900     -8.4799998E-02
 H    4.158200      -4.106200      -1.272400    
 H    2.532000      -4.102200      -1.968000    
 H    3.389500      -2.584500      -1.727000    
 H    1.985800      -4.840600       1.707000    
 H    3.347100      -5.443300      0.7455000    
 H    1.703300      -5.478900      8.3200000E-02
 H    4.156900       4.107100       1.273000    
 H    2.530700       4.102700       1.968300    
 H    3.388600       2.585300       1.727500    
 H    1.984900       4.841100      -1.706800    
 H    3.345900       5.444100     -0.7452000    
 H    1.702000       5.479200     -8.3099999E-02
 H   -5.827900      -1.239000      4.3000001E-02
 H   -5.828300       1.237600     -4.1600000E-02


%chk=000061719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000061719

0 1
O -1.157258 -2.772835 0.082876
O -1.158140 2.772529 -0.083963
N 1.409364 -2.823209 0.093778
N 1.408522 2.823770 -0.092572
C 0.144429 -0.724585 0.021548
C 0.144206 0.724764 -0.020207
C 1.395334 -1.449754 0.041722
C 1.394897 1.450290 -0.041079
C -1.117178 -1.468775 0.045029
C -1.117639 1.468572 -0.043169
C -2.390860 -0.712461 0.021645
C -2.391083 0.711823 -0.020905
C 2.606958 -3.683396 0.090387
C 2.605919 3.684233 -0.090277
C 2.622173 -0.691881 0.016691
C 2.621966 0.692755 -0.017057
C -3.624588 -1.414964 0.042203
C -3.625032 1.413899 -0.042767
C 3.198386 -3.833501 -1.336104
C 2.224030 -5.055566 0.683847
C 3.199318 3.833440 1.335485
C 2.221838 5.056740 -0.682214
C -4.841927 -0.711222 0.020576
C -4.842149 0.709738 -0.022330
H 3.375726 -3.228196 0.748592
H 3.373871 3.229689 -0.749886
H 0.446007 -3.238615 0.100479
H 0.445053 3.238952 -0.097419
H 3.580514 -1.218642 0.029843
H 3.580149 1.219790 -0.030738
H -3.591076 -2.508056 0.075132
H -3.591863 2.507001 -0.075691
H 4.123826 -4.437928 -1.311095
H 2.470919 -4.337156 -1.997933
H 3.436651 -2.850827 -1.780531
H 1.844898 -4.950493 1.715548
H 3.101400 -5.725701 0.700067
H 1.437383 -5.538013 0.074005
H 4.124585 4.438095 1.309612
H 2.472665 4.336440 1.998704
H 3.438430 2.850492 1.778852
H 1.841292 4.952325 -1.713462
H 3.099029 5.727092 -0.699175
H 1.435931 5.538562 -0.070924
H -5.791592 -1.257332 0.036661
H -5.791985 1.255521 -0.039383


