%chk=000115499.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115499

0 1
 O   -1.367800     -0.4056000       2.346700    
 N   0.3195000       1.438900      9.0700001E-02
 N    2.751800     -0.1403000      0.1186000    
 N   -1.298200     -0.7991000      2.8000001E-02
 C   0.5044000      0.3619000       1.087300    
 C    1.463200     -0.7167000      0.5219000    
 C    1.599400       1.981200     -0.3896000    
 C    2.533100      0.8843000     -0.9070000    
 C  -0.5499000       2.534200      0.5264000    
 C   0.9832000      0.8420000       2.470200    
 C    3.654900      -1.179400     -0.3730000    
 C  -0.8320000     -0.3219000       1.246400    
 C   -1.245100       3.170300     -0.6760000    
 C    5.107500     -0.7237000     -0.2456000    
 C   -2.175000       4.303500     -0.2409000    
 C    6.070900      -1.805600     -0.7349000    
 C   -2.843900       4.965300      -1.435100    
 C   -2.507400      -1.491100     -0.2202000    
 C    7.517500      -1.346200     -0.6445000    
 C   -2.822000      -1.902900      -1.515200    
 C   -3.384300      -1.762200      0.8302000    
 C   -4.013600      -2.585500      -1.760000    
 C   -4.575800      -2.444900      0.5854000    
 C   -4.890400      -2.856500     -0.7098000    
 H    1.051300      -1.270100     -0.3307000    
 H    1.632700      -1.469600       1.304900    
 H    1.437400       2.680300      -1.217100    
 H    2.109100       2.544400      0.4033000    
 H    3.477200       1.361500      -1.190900    
 H    2.106300      0.4439000      -1.818700    
 H   -1.342900       2.169700       1.190400    
 H   3.8999999E-03   3.287700       1.101500    
 H    1.102800     -1.3000000E-03   3.161600    
 H   0.2759000       1.536100       2.937900    
 H    1.951900       1.349500       2.413600    
 H    3.549500      -2.085800      0.2382000    
 H    3.419300      -1.472000      -1.404400    
 H   -1.825500       2.409700      -1.214000    
 H  -0.5137000       3.575000      -1.384000    
 H    5.331400     -0.4824000      0.8015000    
 H    5.282600      0.1872000     -0.8289000    
 H   -2.946200       3.914600      0.4342000    
 H   -1.607300       5.058700      0.3152000    
 H  -0.7566000     -0.5917000     -0.8076000    
 H    5.943900      -2.715900     -0.1375000    
 H    5.842500      -2.065200      -1.775200    
 H   -3.444100       4.243400      -1.998100    
 H   -3.506000       5.770100      -1.100600    
 H   -2.100300       5.397000      -2.112500    
 H    7.686500     -0.4571000      -1.260500    
 H    8.188500      -2.135700     -0.9968000    
 H    7.788700      -1.105600      0.3885000    
 H   -2.147300      -1.698400      -2.342700    
 H   -3.209700      -1.475000       1.857600    
 H   -4.258600      -2.906000      -2.768400    
 H   -5.259700      -2.656500       1.402300    
 H   -5.818100      -3.387900     -0.9003000    


%chk=000115499-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115499

0 1
O -1.044110 -1.163575 2.379419
N 0.340908 1.275203 0.015171
N 2.848345 -0.206970 0.147132
N -1.540385 -0.590580 0.143401
C 0.555566 0.243811 1.099741
C 1.572530 -0.822267 0.571297
C 1.619448 1.818441 -0.527126
C 2.576955 0.710134 -0.982227
C -0.581570 2.385278 0.417239
C 1.046342 0.813086 2.451415
C 3.885797 -1.230365 -0.144032
C -0.776065 -0.558244 1.297881
C -1.312161 3.028070 -0.781229
C 5.306521 -0.647908 -0.287808
C -2.215723 4.204905 -0.345162
C 6.371458 -1.754243 -0.470229
C -2.978578 4.841813 -1.526231
C -2.757589 -1.269075 -0.116375
C 7.797819 -1.188033 -0.638217
C -3.338378 -1.108819 -1.404994
C -3.403499 -2.090559 0.847932
C -4.545463 -1.760852 -1.727072
C -4.612356 -2.735763 0.509110
C -5.192074 -2.579842 -0.771266
H 1.095294 -1.383394 -0.273023
H 1.767256 -1.539076 1.388429
H 1.380640 2.468201 -1.388466
H 2.138199 2.444276 0.236446
H 3.519069 1.175806 -1.319466
H 2.130544 0.162120 -1.853527
H -1.339218 1.974650 1.110442
H -0.030401 3.177287 0.977275
H 0.939717 0.039255 3.229858
H 0.450362 1.685566 2.770170
H 2.107385 1.104753 2.372795
H 3.883757 -1.947049 0.700435
H 3.632203 -1.818441 -1.065717
H -1.928339 2.257846 -1.288015
H -0.581496 3.391981 -1.530679
H 5.535034 -0.046956 0.613929
H 5.359503 0.040886 -1.154604
H -2.941186 3.847769 0.413778
H -1.595154 4.976253 0.155161
H -1.120962 0.005897 -0.594412
H 6.344477 -2.435550 0.404528
H 6.111886 -2.372117 -1.354333
H -3.632627 4.099855 -2.021641
H -3.615334 5.680074 -1.189254
H -2.278421 5.234376 -2.287709
H 7.863404 -0.534499 -1.528626
H 8.541978 -1.996681 -0.757689
H 8.091143 -0.585523 0.241925
H -2.839100 -0.476963 -2.150823
H -2.952333 -2.207275 1.835423
H -4.981030 -1.629736 -2.724086
H -5.104411 -3.367943 1.257092
H -6.130177 -3.086693 -1.021588


