%chk=000154569.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154569

0 1
 O    2.718500      -2.731400      7.0400000E-02
 O   0.4991000      -2.564300     -0.4825000    
 N    3.027900     -4.3900002E-02  0.1468000    
 N  -0.4187000      0.3109000     -0.7179000    
 C    1.628400       1.657500     -0.2046000    
 C    2.945300       1.330100      0.1256000    
 C   0.9252000      0.4330000     -0.3804000    
 C    1.812100     -0.5950000     -0.1577000    
 C    1.270100       3.017200     -0.2951000    
 C    3.925500       2.298200      0.3709000    
 C    2.240100       3.996500     -5.2499998E-02
 C    3.546700       3.640300      0.2753000    
 C    1.579800      -2.004700     -0.2137000    
 C   -2.659100      0.1402000      0.2299000    
 C   -1.193800      0.2680000      0.3290000    
 C   -5.412600     -9.6400000E-02  4.2599998E-02
 C   -3.416100      0.1001000       1.389000    
 C   -3.249300      6.4700000E-02  -1.020900    
 C   -4.802700     -1.9200001E-02   1.294700    
 C   -4.635900     -5.4499999E-02  -1.115100    
 C    2.609000      -4.159200      4.4100001E-02
 C   -6.895200     -0.2249000     -5.7599999E-02
 C    3.955700      -4.763300      0.3800000    
 H    3.866800     -0.5672000      0.3574000    
 H   0.2556000       3.310800     -0.5493000    
 H    4.943000       2.021900      0.6261000    
 H    1.969400       5.046800     -0.1208000    
 H    4.284200       4.417400      0.4597000    
 H  -0.7800000      0.3257000       1.354900    
 H   -2.952600      0.1601000       2.369700    
 H   -2.667200      9.5700003E-02  -1.937300    
 H   -5.397300     -4.8999999E-02   2.204000    
 H   -5.099700     -0.1121000      -2.096400    
 H    1.863700      -4.479700      0.7802000    
 H    2.296100      -4.481000     -0.9552000    
 H   -7.184100     -0.7802000     -0.9565000    
 H   -7.303200     -0.7702000      0.8003000    
 H   -7.356500      0.7669000     -9.4700001E-02
 H    3.908000      -5.855700      0.3690000    
 H    4.715000      -4.434900     -0.3374000    
 H    4.289800      -4.433700       1.369300    


%chk=000154569-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154569

0 1
O 2.929351 -2.654666 0.506609
O 0.590910 -2.719625 0.534137
N 3.094302 -0.087149 0.049789
N -0.540032 0.545149 -0.046464
C 1.648055 1.641427 -0.250768
C 3.036171 1.279171 -0.193408
C 0.850845 0.444425 -0.033673
C 1.795378 -0.622290 0.151926
C 1.281266 2.990132 -0.489166
C 4.068735 2.230825 -0.368467
C 2.301470 3.941254 -0.663818
C 3.680138 3.562913 -0.603755
C 1.653157 -2.051113 0.407523
C -2.836549 -0.216910 0.097143
C -1.387891 -0.450438 0.136475
C -5.676373 0.160776 0.028226
C -3.722536 -1.311821 0.294737
C -3.392584 1.074682 -0.136164
C -5.119620 -1.123261 0.259793
C -4.784864 1.254779 -0.169482
C 2.931666 -4.122759 0.769960
C -7.178749 0.374235 -0.003504
C 4.391580 -4.557300 0.850611
H 3.924126 -0.670997 0.149117
H 0.222158 3.260542 -0.532141
H 5.126116 1.948936 -0.324021
H 2.045118 4.989893 -0.849449
H 4.450738 4.329352 -0.744511
H -1.055872 -1.486804 0.323264
H -3.306742 -2.311348 0.473859
H -2.702310 1.910609 -0.288069
H -5.788024 -1.978962 0.412934
H -5.199849 2.254342 -0.351177
H 2.382465 -4.307850 1.710779
H 2.385852 -4.623477 -0.050073
H -7.494506 0.868198 -0.941539
H -7.726626 -0.580004 0.078517
H -7.507711 1.024318 0.829871
H 4.446049 -5.644083 1.044087
H 4.920176 -4.348825 -0.095557
H 4.916017 -4.034778 1.669148


