%chk=000099704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099704

0 1
 O   0.3768000       1.156300      -2.802800    
 N   -3.817800      0.5485000     -0.1607000    
 N   0.1404000       2.795800      -1.226700    
 C   5.6899998E-02  0.4402000     -0.4763000    
 C   -1.379700      0.6226000      0.1292000    
 C   -2.538600      0.3454000     -0.8401000    
 C   -3.953800     -0.3825000      0.9683000    
 C   -4.931900      0.4013000      -1.107700    
 C   -5.265300     -0.1502000       1.720400    
 C   -6.275300      0.6590000     -0.4237000    
 C   -6.465300     -0.2494000      0.7857000    
 C   0.2323000     -0.9982000      -1.078300    
 C    1.191800      0.6722000      0.5523000    
 C   0.2114000       1.477000      -1.626200    
 C    2.510000      0.5635000      0.1663000    
 C   0.7792000      0.9812000       1.824200    
 C   0.1852000      -2.121900     -7.2700001E-02
 C    3.499500      0.7873000       1.153100    
 C    1.752300       1.201700       2.794500    
 C    2.905700      0.2454000      -1.143200    
 C   0.8396000      -3.298700     -0.1031000    
 C    3.103900       1.105700       2.462600    
 C    4.855400      0.6866000      0.8015000    
 C    4.257500      0.1493000      -1.474800    
 C    5.230500      0.3693000     -0.5043000    
 C    1.752700      -3.628800      -1.254600    
 C   0.7466000      -4.378700      0.9369000    
 H   -1.513300       1.640100      0.5209000    
 H   -1.449900     -6.7400001E-02  0.9703000    
 H   -2.497700     -0.6747000      -1.234400    
 H   -2.464200       1.032800      -1.690500    
 H   -3.898600      -1.425600      0.6306000    
 H   -3.183600     -0.2364000       1.728600    
 H   -4.822800       1.123700      -1.925800    
 H   -4.934400     -0.6010000      -1.556000    
 H   -5.250100      0.8415000       2.190600    
 H   -5.365600     -0.8849000       2.527500    
 H   -6.330000       1.707700     -0.1051000    
 H   -7.091000      0.4991000      -1.137700    
 H   -6.582600      -1.286900      0.4493000    
 H   -7.382300      2.2000000E-02   1.320100    
 H    1.073600      -1.144800      -1.741000    
 H  -0.6006000      -1.178100      -1.769400    
 H  -0.2417000       1.084500       2.162800    
 H  -0.4866000      -1.978200      0.7705000    
 H    1.461300       1.450800       3.811000    
 H    2.273200      0.1696000      -2.006900    
 H   0.2257000       3.547100      -1.903000    
 H   1.8300001E-02   3.071600     -0.2580000    
 H    3.847400       1.282500       3.237000    
 H    5.632900      0.8561000       1.543400    
 H    4.553200     -7.2099999E-02  -2.496400    
 H    6.282700      0.3004000     -0.7646000    
 H    1.710700      -4.701800      -1.475000    
 H    1.483700      -3.127200      -2.187500    
 H    2.787400      -3.378300     -0.9993000    
 H    1.736400      -4.593400       1.352500    
 H   9.3500003E-02  -4.084000       1.764900    
 H   0.3408000      -5.297300      0.5015000    


%chk=000099704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099704

0 1
O -0.227165 1.056265 -2.996843
N -3.786055 0.371151 -0.041731
N 0.284041 2.632430 -1.385674
C 0.092403 0.264723 -0.647957
C -1.291340 0.417383 0.079924
C -2.531425 0.334848 -0.838644
C -4.115731 -0.945944 0.561815
C -4.937073 0.902184 -0.817876
C -5.333189 -0.843921 1.503157
C -6.177754 1.074484 0.082036
C -6.555756 -0.264315 0.756240
C 0.212055 -1.176516 -1.290613
C 1.278127 0.505756 0.319614
C 0.061743 1.331615 -1.792234
C 2.645759 0.625831 -0.172088
C 1.068160 0.553634 1.706602
C -0.237612 -2.307976 -0.390176
C 3.731184 0.778213 0.783061
C 2.138357 0.706107 2.640056
C 2.996603 0.598216 -1.567866
C 0.545464 -3.149806 0.347168
C 3.450139 0.814484 2.188363
C 5.083680 0.892593 0.317618
C 4.323003 0.711086 -1.991219
C 5.382508 0.858101 -1.044127
C 2.060720 -3.084121 0.416846
C -0.079156 -4.255408 1.184601
H -1.338583 1.387787 0.608534
H -1.359624 -0.375529 0.845605
H -2.484417 -0.573736 -1.487596
H -2.538607 1.202000 -1.523614
H -4.333848 -1.704187 -0.239456
H -3.238379 -1.312936 1.125434
H -4.642849 1.876960 -1.249685
H -5.198985 0.224123 -1.674425
H -5.071694 -0.184524 2.353474
H -5.565146 -1.845895 1.913634
H -5.948039 1.828087 0.860241
H -7.021213 1.460082 -0.522762
H -6.887749 -0.984944 -0.020176
H -7.405453 -0.124019 1.451122
H 1.254425 -1.334275 -1.613419
H -0.395514 -1.163202 -2.214508
H 0.055769 0.461322 2.105588
H -1.325578 -2.474906 -0.349434
H 1.914754 0.732935 3.712178
H 2.219296 0.496556 -2.329485
H 0.240405 3.376126 -2.081890
H 0.589171 2.846800 -0.436741
H 4.281873 0.928776 2.893754
H 5.883059 1.007639 1.059751
H 4.551803 0.687511 -3.062340
H 6.418399 0.944509 -1.389684
H 2.503293 -4.076660 0.200554
H 2.496067 -2.351664 -0.280646
H 2.389870 -2.803509 1.437494
H 0.200084 -4.150252 2.252320
H -1.181266 -4.252725 1.115227
H 0.282786 -5.252045 0.861598


