%chk=000082732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082732

0 1
 O   -3.837200     -0.8087000     -0.1894000    
 O   0.2347000       2.617500      0.2861000    
 N   -2.294100      -2.894800      9.1899998E-02
 N    1.986100      0.7065000      0.5932000    
 C   -1.503500     -0.5500000      0.1337000    
 C  -0.4393000      0.3455000      0.2581000    
 C   -1.268700      -1.928300      0.2075000    
 C   0.8599000     -0.1373000      0.4569000    
 C   -2.879100     -5.4499999E-02 -7.6099999E-02
 C   -3.112700       1.402200     -0.1529000    
 C   -2.048400       2.297700     -2.8700000E-02
 C  -0.6726000       1.802000      0.1809000    
 C   -2.045100      -4.299200      0.1684000    
 C   2.7600000E-02  -2.405000      0.4053000    
 C    1.089500      -1.511500      0.5297000    
 C   -4.411700       1.884900     -0.3519000    
 C   -2.283100       3.675900     -0.1032000    
 C   -3.334200      -5.023600      0.5431000    
 C   -1.494000      -4.811900      -1.159000    
 C    3.343700      0.5396000      0.2677000    
 C   -4.641200       3.259000     -0.4260000    
 C   -3.579200       4.152600     -0.3017000    
 C    4.329200       1.190900       1.013600    
 C    3.713600     -0.2772000     -0.8038000    
 C    6.041700      0.2099000     -0.3802000    
 C    5.676100       1.026300      0.6901000    
 C    5.060400     -0.4419000      -1.127100    
 C    7.481600      3.3599999E-02 -0.7261000    
 H   -1.349500      -4.544700      0.9793000    
 H   -3.220400      -2.574500     -0.1624000    
 H   0.2897000      -3.453500      0.4849000    
 H    2.079000      -1.920700      0.7152000    
 H    1.782200       1.587800       1.054900    
 H   -5.258300       1.211000     -0.4519000    
 H   -1.474000       4.395200     -9.8000001E-03
 H   -3.721000      -4.660500       1.501900    
 H   -3.165800      -6.102000      0.6327000    
 H   -4.115500      -4.864000     -0.2088000    
 H   -1.308100      -5.890300      -1.106200    
 H   -2.208600      -4.637500      -1.972100    
 H  -0.5559000      -4.331200      -1.449400    
 H   -5.649200       3.632900     -0.5806000    
 H   -3.760700       5.222000     -0.3596000    
 H    4.057800       1.829000       1.850900    
 H    2.971500     -0.7772000      -1.420300    
 H    6.431400       1.537900       1.280700    
 H    5.332700      -1.077400      -1.965600    
 H    7.612100     -0.1339000      -1.800700    
 H    8.062300      0.9260000     -0.4687000    
 H    7.895900     -0.8226000     -0.1846000    


%chk=000082732-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082732

0 1
O -3.909861 -0.917578 -0.052522
O 0.296122 2.688010 0.195522
N -2.282959 -2.901554 0.099965
N 2.000519 0.788354 0.206600
C -1.511324 -0.575409 0.087973
C -0.409683 0.366323 0.124732
C -1.250328 -1.997368 0.138093
C 0.949609 -0.114459 0.183893
C -2.893822 -0.100857 -0.004635
C -3.144620 1.359303 -0.048550
C -2.064277 2.286732 0.008221
C -0.667289 1.810998 0.110959
C -2.157333 -4.371931 0.115504
C 0.118912 -2.433533 0.264377
C 1.170237 -1.532447 0.286715
C -4.477195 1.839138 -0.141757
C -2.331066 3.681029 -0.028182
C -3.506104 -4.970123 0.567688
C -1.734329 -4.923203 -1.271509
C 3.389498 0.545400 0.058850
C -4.732328 3.221857 -0.179609
C -3.654548 4.146909 -0.122868
C 4.291110 1.418951 0.727319
C 3.926122 -0.462780 -0.789403
C 6.230033 0.246208 -0.247589
C 5.682635 1.270179 0.569551
C 5.321988 -0.606141 -0.927215
C 7.731513 0.064397 -0.381407
H -1.388031 -4.658201 0.862225
H -3.222999 -2.443221 0.022369
H 0.336833 -3.500153 0.366201
H 2.189280 -1.901526 0.427094
H 1.650207 1.782660 0.276206
H -5.285175 1.102526 -0.181821
H -1.480798 4.367933 0.019185
H -3.784188 -4.608443 1.573173
H -3.446837 -6.072101 0.596296
H -4.311945 -4.689946 -0.136191
H -1.603607 -6.020044 -1.227791
H -2.510092 -4.694179 -2.024170
H -0.785494 -4.473351 -1.613897
H -5.762525 3.587402 -0.252307
H -3.856067 5.223296 -0.152563
H 3.888864 2.208943 1.371658
H 3.257154 -1.096115 -1.380371
H 6.356606 1.957503 1.095179
H 5.713039 -1.384197 -1.594436
H 8.001607 -0.367962 -1.361183
H 8.267419 1.023901 -0.273186
H 8.123117 -0.619131 0.397513


