%chk=000086400.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086400

0 1
 O   -1.618300      -1.039400       1.134000    
 O    3.049100     -0.2528000       1.396100    
 O   -4.544100       1.196400       1.329400    
 O   -1.789900       2.693800      -1.369900    
 O   -3.417000       3.045900      0.5478000    
 N  -0.2656000      -1.428300     -0.7092000    
 N    2.107100      -1.029300     -0.5755000    
 N    3.316800       3.007500     -8.3400004E-02
 C   -3.380100     -0.5553000     -0.4267000    
 C   -2.656800      -1.447900      0.3502000    
 C   -3.043100      0.8782000     -0.4275000    
 C   -4.434300     -0.9853000      -1.219500    
 C   -2.995100      -2.801000      0.3343000    
 C   -4.772300      -2.338500      -1.235400    
 C   -4.052700      -3.246400     -0.4586000    
 C  -0.3547000      -1.030400      0.5703000    
 C   -3.669100       1.849700      0.5163000    
 C   -2.156600       1.375100      -1.304500    
 C   0.7074000     -0.6237000       1.340100    
 C    1.932500     -0.6436000      0.7056000    
 C    4.255200     -0.2864000      0.7247000    
 C    4.701900      0.8205000      1.9700000E-02
 C    5.000800      -1.454500      0.7765000    
 C    5.924200      0.7582000     -0.6496000    
 C    6.223100      -1.516600      0.1072000    
 C    6.684600     -0.4104000     -0.6058000    
 C   0.9824000      -1.403700      -1.214500    
 C   -5.214900       2.008400       2.298800    
 C  -0.4573000       2.831600      -1.833300    
 C    3.936900       2.028300     -3.7400000E-02
 H   -5.004700     -0.2893000      -1.829200    
 H   -2.440700      -3.514900      0.9376000    
 H   -5.596100      -2.685300      -1.852400    
 H   -4.316200      -4.299900     -0.4708000    
 H   -1.667400      0.7571000      -2.047900    
 H   0.5935000     -0.3092000       2.369300    
 H    4.646700      -2.318400       1.331400    
 H    6.298500       1.611600      -1.210200    
 H    6.815400      -2.426300      0.1415000    
 H    7.636200     -0.4590000      -1.127000    
 H    1.093200      -1.717200      -2.245200    
 H   -5.814400       2.775900       1.800000    
 H   -5.881100       1.364300       2.878800    
 H   -4.488500       2.465000       2.977700    
 H  -0.3673000       2.502200      -2.874300    
 H   0.2421000       2.276900      -1.197400    
 H  -0.1887000       3.891200      -1.789200    


%chk=000086400-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086400

0 1
O -1.441664 -1.026538 0.882300
O 3.313685 -0.871516 1.247918
O -5.043669 1.340785 1.298952
O -1.625246 2.785433 -0.919766
O -3.899369 3.274165 0.670007
N -0.109011 -1.519024 -1.024559
N 2.312551 -1.437789 -0.834457
N 2.794831 2.015214 -0.960874
C -3.536575 -0.376729 -0.234734
C -2.644497 -1.397247 0.175904
C -3.183202 1.076107 -0.166176
C -4.788972 -0.801331 -0.758490
C -2.947747 -2.768610 0.066027
C -5.115535 -2.166147 -0.880377
C -4.189888 -3.157431 -0.473667
C -0.203865 -1.188867 0.297922
C -4.021378 2.026106 0.598353
C -2.071445 1.491623 -0.869745
C 0.925518 -0.958965 1.119461
C 2.165828 -1.088830 0.472193
C 4.569882 -0.651429 0.625471
C 4.781048 0.435058 -0.272010
C 5.639382 -1.466064 1.034433
C 6.091635 0.667481 -0.770974
C 6.936830 -1.218013 0.534971
C 7.162985 -0.155845 -0.372081
C 1.153184 -1.634451 -1.519927
C -5.919728 2.206976 2.114618
C -0.413535 3.025783 -1.742027
C 3.699264 1.298650 -0.653410
H -5.506682 -0.035556 -1.068280
H -2.221094 -3.511779 0.408589
H -6.087400 -2.458764 -1.291954
H -4.436277 -4.220424 -0.566260
H -1.499683 0.749418 -1.450968
H 0.832597 -0.674839 2.167515
H 5.440950 -2.282935 1.733695
H 6.254153 1.498560 -1.464088
H 7.767872 -1.856181 0.852192
H 8.168274 0.031920 -0.761162
H 1.245026 -1.909847 -2.574369
H -6.412727 2.967218 1.484325
H -6.655321 1.521594 2.559972
H -5.333819 2.721352 2.895796
H -0.546287 2.607782 -2.757545
H 0.483420 2.598872 -1.263066
H -0.323697 4.119851 -1.796749


