%chk=000129985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129985

0 1
 O  -0.7086000       1.314200      -1.042200    
 O    2.913500      0.8839000     -0.7111000    
 O   -1.997100       3.222800       1.652300    
 O   -6.799800     -0.8575000     -0.3979000    
 O   -3.158400      -3.723200      0.4099000    
 O    10.94140      -1.977000      0.5700000    
 N   -2.741000       1.014300      5.0299998E-02
 N   -2.740800      -1.436600      0.2688000    
 N   -4.986500      -2.316500      5.9000002E-03
 N   -4.917700       1.355800     -0.3101000    
 C   -1.329200       1.375500      0.2319000    
 C   0.6752000       1.680100      -1.050400    
 C   -3.336100     -0.2121000      6.9499999E-02
 C    1.545900      0.5363000     -0.5404000    
 C   -4.662400      2.1600001E-02 -0.1526000    
 C   -1.175000       2.746900      0.8729000    
 C    6.203800     -0.7821000      6.3999998E-03
 C    5.218700      0.2782000     -0.4813000    
 C   0.9253000       2.959000     -0.3032000    
 C   -3.737400       1.929000     -0.1823000    
 C    3.775500     -0.1480000     -0.2518000    
 C    7.651400     -0.3290000     -0.1893000    
 C   6.7800000E-02   3.491500      0.5725000    
 C   -5.605900      -1.055000     -0.2003000    
 C   -3.584500      -2.574600      0.2422000    
 C    8.636400      -1.403000      0.2673000    
 C   -1.306500      -1.557500      0.4973000    
 C   -5.847400      -3.494200     -1.9900000E-02
 C    10.07950     -0.9429000      0.1155000    
 H  -0.8732000      0.7039000      0.9520000    
 H   0.9315000       1.867900      -2.100200    
 H    1.325000     -0.3753000      -1.108200    
 H    1.347500      0.3275000      0.5176000    
 H    6.026200     -0.9897000       1.068600    
 H    6.033400      -1.718300     -0.5389000    
 H    5.374000      0.4797000      -1.548500    
 H    5.400500       1.230200      3.3199999E-02
 H    1.854700       3.485000     -0.5059000    
 H   -3.563400       2.991200     -0.2887000    
 H    7.825000      0.5947000      0.3759000    
 H    7.826100     -9.8300003E-02  -1.247300    
 H    3.600200     -0.3224000      0.8163000    
 H    3.566300      -1.073800     -0.8003000    
 H   0.2626000       4.425300       1.083800    
 H    8.485700      -2.326100     -0.3063000    
 H    8.449900      -1.667800       1.315600    
 H   -1.052300      -1.168600       1.485500    
 H  -0.7535000      -1.110000     -0.3260000    
 H   -1.024900      -2.616100      0.5092000    
 H   -6.894000      -3.240900     -0.2039000    
 H   -5.495900      -4.169900     -0.8062000    
 H   -5.764700      -4.011500      0.9413000    
 H    10.31310     -0.7294000     -0.9324000    
 H    10.26840     -4.5400001E-02  0.7130000    
 H    11.85300      -1.656600      0.4616000    


%chk=000129985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129985

0 1
O -0.688860 1.115384 -0.903202
O 2.987206 0.779348 -0.424450
O -2.155601 3.433547 1.526479
O -6.968367 -0.895520 -0.969544
O -3.562159 -3.682062 0.682355
O 11.313467 -1.849519 0.225491
N -2.849376 1.083406 0.017356
N -3.042507 -1.410687 0.415511
N -5.245321 -2.263210 -0.111450
N -4.961045 1.432413 -0.800734
C -1.467726 1.396338 0.326765
C 0.737785 1.499551 -0.880083
C -3.502649 -0.159590 0.033228
C 1.599152 0.352774 -0.287031
C -4.798642 0.077294 -0.457000
C -1.272564 2.858106 0.833535
C 6.455813 -0.760999 0.056939
C 5.360927 0.272306 -0.295515
C 0.990891 2.812829 -0.189624
C -3.795631 2.005105 -0.520720
C 3.952355 -0.273724 -0.052526
C 7.883165 -0.236948 -0.219052
C 0.046360 3.451969 0.560743
C -5.782056 -0.985166 -0.559405
C -3.942324 -2.522753 0.345499
C 8.972660 -1.274151 0.132718
C -1.661388 -1.701955 0.846534
C -6.149035 -3.437493 -0.155186
C 10.388400 -0.767846 -0.154960
H -1.121148 0.741155 1.150707
H 1.005660 1.596128 -1.948241
H 1.404577 -0.577362 -0.862699
H 1.342860 0.175026 0.781918
H 6.372584 -1.044530 1.126525
H 6.292287 -1.690670 -0.526804
H 5.448704 0.568392 -1.358623
H 5.498299 1.190632 0.307472
H 1.995762 3.230274 -0.318085
H -3.561198 3.057511 -0.643246
H 8.050071 0.693240 0.363355
H 7.966108 0.044602 -1.289580
H 3.810070 -0.547500 1.016488
H 3.766092 -1.179603 -0.671290
H 0.242856 4.420174 1.033704
H 8.810353 -2.205579 -0.443835
H 8.908193 -1.544731 1.204512
H -1.463788 -1.309215 1.860937
H -0.942089 -1.289351 0.118896
H -1.567410 -2.798174 0.880670
H -7.122462 -3.081800 -0.522675
H -5.739350 -4.207417 -0.829245
H -6.249757 -3.874171 0.851717
H 10.492499 -0.519827 -1.234461
H 10.592665 0.152753 0.435453
H 12.245931 -1.563504 0.054457


