%chk=000096224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096224

0 1
 O   -3.040900       1.961500     -0.1394000    
 N   -4.486300      0.1725000     -0.5212000    
 C   -4.667400      -1.265200     -0.7512000    
 C   -5.666900       1.039000     -0.5145000    
 C   -6.054000      -1.841300     -0.4689000    
 C   -6.371100       1.021700      0.8390000    
 C   -6.563700      -1.545300      0.9402000    
 C   -7.267700     -0.1948000       1.054600    
 C   0.5084000     -0.2393000     -0.2014000    
 C  -0.7564000      0.6214000     -0.1553000    
 C    1.795800      0.5648000     -7.1000000E-03
 C   -2.038200     -0.1747000     -0.3741000    
 C    3.029900     -0.3363000     -9.3300000E-02
 C   -3.225400      0.7573000     -0.3347000    
 C    4.316500      0.4592000      0.1341000    
 C    5.551900     -0.4348000      1.4900000E-02
 C    6.840600      0.3677000      0.2098000    
 C    8.075900     -0.5225000      5.6600001E-02
 C    9.394300      0.2371000      0.2188000    
 C    10.62470     -0.6479000      9.3099996E-02
 H   -4.410100      -1.448300      -1.801300    
 H   -3.943100      -1.820700     -0.1488000    
 H   -5.349400       2.068000     -0.7187000    
 H   -6.333200      0.7567000      -1.336700    
 H   -6.776900      -1.498000      -1.218100    
 H   -5.987700      -2.929800     -0.5924000    
 H   -5.636100       1.086100       1.650600    
 H   -7.002300       1.915900      0.9136000    
 H   -7.293600      -2.320000       1.207300    
 H   -5.750200      -1.617100       1.671700    
 H   -7.714700     -0.1193000       2.053700    
 H   -8.102300     -0.1592000      0.3430000    
 H   0.4439000      -1.013500      0.5731000    
 H   0.5503000     -0.7596000      -1.166600    
 H  -0.7978000       1.134100      0.8146000    
 H  -0.6729000       1.404700     -0.9201000    
 H    1.769700       1.064900      0.9685000    
 H    1.858300       1.348600     -0.7716000    
 H   -2.130300     -0.9167000      0.4253000    
 H   -2.007600     -0.6846000      -1.342600    
 H    3.063200     -0.8179000      -1.078200    
 H    2.956600      -1.134900      0.6550000    
 H    4.292300      0.9236000       1.127300    
 H    4.379400       1.270900     -0.6010000    
 H    5.564000     -0.9128000     -0.9722000    
 H    5.500300      -1.236200      0.7618000    
 H    6.883800       1.180200     -0.5255000    
 H    6.841800      0.8300000       1.204100    
 H    8.033300      -1.329300      0.7989000    
 H    8.059200      -1.000200     -0.9309000    
 H    9.450500       1.031500     -0.5350000    
 H    9.411800      0.7280000       1.199200    
 H    10.66100      -1.127700     -0.8900000    
 H    10.62170      -1.431100      0.8577000    
 H    11.53530     -5.3599998E-02  0.2168000    


%chk=000096224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096224

0 1
O -3.256148 2.001155 0.230279
N -4.561156 0.211253 -0.482912
C -4.693339 -1.205092 -0.899320
C -5.754514 1.091759 -0.474322
C -6.082448 -1.824386 -0.619523
C -6.559632 1.002633 0.845792
C -6.613710 -1.612283 0.822499
C -7.395925 -0.287290 1.007995
C 0.467695 -0.225066 -0.066391
C -0.780494 0.684339 -0.052788
C 1.792036 0.566466 0.022096
C -2.089088 -0.115302 -0.209247
C 3.046404 -0.335779 0.015568
C -3.336169 0.782033 -0.131910
C 4.372129 0.456871 0.063639
C 5.626349 -0.445872 0.056585
C 6.952936 0.346592 0.083786
C 8.206967 -0.556513 0.076954
C 9.533922 0.236508 0.096149
C 10.780873 -0.674218 0.089379
H -4.466178 -1.313515 -1.982807
H -3.940640 -1.798542 -0.350877
H -5.381511 2.122272 -0.599885
H -6.394511 0.842999 -1.342540
H -6.829389 -1.440938 -1.341780
H -5.984532 -2.907887 -0.830310
H -5.843391 1.108799 1.682768
H -7.238301 1.877708 0.899080
H -7.289569 -2.451463 1.079697
H -5.769366 -1.656676 1.540792
H -7.865944 -0.282312 2.011819
H -8.229890 -0.272929 0.274551
H 0.413701 -0.942809 0.779799
H 0.474306 -0.837836 -0.993171
H -0.821131 1.268105 0.885036
H -0.712443 1.430582 -0.867725
H 1.788407 1.185740 0.943141
H 1.847906 1.277784 -0.828332
H -2.147432 -0.887245 0.588119
H -2.077600 -0.669176 -1.169398
H 3.034890 -0.972076 -0.894556
H 3.003312 -1.031083 0.880239
H 4.384992 1.095993 0.971331
H 4.414784 1.149456 -0.803115
H 5.606007 -1.093490 -0.845201
H 5.590494 -1.130295 0.930160
H 6.988822 1.029454 -0.791035
H 6.973678 0.995805 0.984287
H 8.175379 -1.236253 0.954383
H 8.184960 -1.209077 -0.821209
H 9.564510 0.914995 -0.780958
H 9.554713 0.888692 0.993255
H 10.798279 -1.314317 -0.813099
H 10.788321 -1.341277 0.972230
H 11.715882 -0.084195 0.103506


