%chk=000178759.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178759

0 1
 O    4.189600     -7.4299999E-02   1.093000    
 O    4.654000      -1.820500      -2.014400    
 O    6.652000      -1.259400     -0.2599000    
 O    4.653700       2.650600       1.563800    
 O   -4.155300      -2.816200       1.186200    
 N   -5.543600      0.8096000     -0.7630000    
 N    2.319900      -1.051000      6.3000000E-03
 N   -2.169100      5.4000001E-03 -0.1377000    
 N   0.2526000      -1.825700     -0.3040000    
 N    1.829600       1.292000      0.4185000    
 N  -0.5697000       1.726900      0.3157000    
 C    3.776600      -1.052900      0.1197000    
 C    4.499300     -0.6976000      -1.170700    
 C    5.817000     -0.1663000     -0.6420000    
 C    5.384600      0.5846000      0.6135000    
 C   -3.306700      0.8881000     -5.6000002E-02
 C   -3.480800       1.668500      -1.393100    
 C   -4.632500      0.2382000      7.5000003E-02
 C   -4.995200       1.886100      -1.563300    
 C   -5.268900     -0.7563000      0.7700000    
 C    5.052400       2.046000      0.3462000    
 C    1.488300      2.3100000E-02  0.1482000    
 C   -6.754300      0.2262000     -0.6607000    
 C   0.2114000     -0.4782000     -4.7400001E-02
 C  -0.8603000      0.4211000      4.2399999E-02
 C   -6.619400     -0.7648000      0.2996000    
 C    1.531300      -2.137600     -0.2650000    
 C   -4.686000      -1.638900       1.796400    
 C   0.7294000       2.073300      0.4831000    
 H    4.059900      -2.043700      0.4965000    
 H    3.966900      8.5299999E-02  -1.723000    
 H    6.366500      0.4364000      -1.370700    
 H    6.125400      0.5124000       1.417800    
 H   -3.196700       1.593200      0.7785000    
 H   -3.109300       1.072000      -2.237900    
 H   -2.926800       2.613000      -1.398900    
 H   -5.331700       2.830500      -1.126100    
 H   -5.328600       1.782900      -2.598500    
 H    4.240500       2.166200     -0.3764000    
 H    5.929800       2.581400     -2.8899999E-02
 H   -2.323600     -0.9683000     -0.3763000    
 H   -7.603800      0.5398000      -1.251100    
 H   -7.412100      -1.424100      0.6263000    
 H    1.942100      -3.125100     -0.4254000    
 H    5.173200      -2.488000      -1.534600    
 H    7.466200     -0.8841000      0.1168000    
 H   -3.876500      -1.136300       2.336200    
 H   -5.444700      -1.943200       2.525100    
 H    3.872400       2.169800       1.887000    
 H   0.9099000       3.121100      0.6984000    
 H   -3.783100      -3.362000       1.899800    


%chk=000178759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178759

0 1
O 4.114980 -0.071846 1.360441
O 4.547173 -2.511316 -1.331282
O 6.481010 -1.717216 0.256792
O 4.154862 2.677432 0.818895
O -2.793472 -2.182486 -0.152804
N -5.746000 0.866672 -0.305977
N 2.132065 -0.953594 0.334604
N -2.231322 0.467048 -0.553410
N -0.037956 -1.605557 -0.001647
N 1.773689 1.540782 0.252835
N -0.583309 2.131110 -0.107473
C 3.581695 -1.144584 0.539963
C 4.417340 -1.179279 -0.784741
C 5.768181 -0.565013 -0.326008
C 5.337381 0.496432 0.699060
C -3.403459 1.278255 -0.182618
C -4.046091 2.182952 -1.296335
C -4.542588 0.338884 0.139831
C -5.579039 2.172483 -0.983783
C -4.761743 -0.965603 0.614303
C 5.014243 1.855760 0.010597
C 1.391831 0.229174 0.152744
C -6.770586 -0.052871 -0.097636
C 0.057128 -0.200136 -0.076097
C -0.948512 0.807016 -0.260144
C -6.181394 -1.199302 0.468778
C 1.219604 -2.012742 0.239497
C -3.688288 -1.941144 1.022237
C 0.725263 2.414369 0.132085
H 3.700581 -2.115358 1.059857
H 3.938751 -0.559546 -1.559768
H 6.347225 -0.133696 -1.165404
H 6.061174 0.647514 1.518971
H -3.114695 1.919347 0.674658
H -3.857938 1.712812 -2.277254
H -3.619150 3.198439 -1.304255
H -5.866666 3.002028 -0.309836
H -6.200830 2.227531 -1.893686
H 4.567598 1.666777 -0.994764
H 5.962330 2.407129 -0.139265
H -2.439290 -0.561397 -0.653855
H -7.804712 0.154471 -0.362729
H -6.709389 -2.115809 0.731403
H 1.532743 -3.048258 0.345926
H 5.315956 -2.935280 -0.857405
H 7.344103 -1.438238 0.646386
H -3.081084 -1.552517 1.866486
H -4.140217 -2.902704 1.328358
H 3.223410 2.248558 0.751476
H 0.977761 3.473215 0.243502
H -1.824545 -2.321498 0.103487


