%chk=000157680.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157680

0 1
 O    4.967800      5.9799999E-02 -0.5219000    
 O  -0.2019000       1.541600     -0.1912000    
 N    1.829100      0.2956000      0.9837000    
 N   -3.544000     -0.7992000       1.720000    
 C    4.212200      6.6000000E-02  0.6930000    
 C    4.698000       1.337700      6.8599999E-02
 C    1.042200      -1.393100     -0.5607000    
 C    2.821500     -0.3877000      0.5059000    
 C    2.515300      -1.648500     -0.2309000    
 C   0.6321000     -0.4996000      0.6280000    
 C    3.792400       2.182600     -0.7477000    
 C    5.906300       1.997200      0.6193000    
 C   0.9175000     -0.7055000      -1.931500    
 C   0.2593000      -2.673900     -0.5876000    
 C  -0.4678000      0.4708000      0.3402000    
 C   -1.868100      0.1144000      0.6798000    
 C   0.7762000      -3.859900     -0.9257000    
 C   -3.017200      0.5479000      2.1600001E-02
 C   -2.178400     -0.7010000       1.708700    
 C   -4.082600     -4.6799999E-02  0.7008000    
 C   -3.295600       1.381200      -1.080000    
 C   -5.417900      0.1508000      0.3319000    
 C   -4.626500       1.588200      -1.460300    
 C   -5.669800      0.9814000     -0.7639000    
 H    4.706500     -0.2944000       1.587200    
 H    3.153300      -1.769500      -1.110500    
 H    2.685600      -2.477400      0.4659000    
 H   0.3956000      -1.100100       1.513400    
 H    3.166900       2.806900     -0.1015000    
 H    4.366900       2.848900      -1.400600    
 H    3.136300       1.597300      -1.396600    
 H    5.622200       2.802900       1.304300    
 H    6.543300       1.299400       1.173800    
 H    6.513000       2.430800     -0.1828000    
 H    1.432800      0.2582000      -1.958700    
 H    1.352200      -1.325700      -2.725000    
 H  -0.1307000     -0.5302000      -2.201300    
 H  -0.8033000      -2.627400     -0.3639000    
 H   0.1414000      -4.740000     -0.9438000    
 H    1.814200      -3.994000      -1.206100    
 H   -1.596200      -1.225500       2.452700    
 H   -4.080000      -1.343300       2.382000    
 H   -2.496700       1.861000      -1.637900    
 H   -6.230900     -0.3210000      0.8734000    
 H   -4.847300       2.229300      -2.309600    
 H   -6.696100       1.155700      -1.076700    


%chk=000157680-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157680

0 1
O 5.320774 -0.214395 0.493381
O -0.520080 1.564661 -0.363311
N 1.651423 0.412559 1.073999
N -3.766499 -1.396083 1.187015
C 4.081230 0.489594 1.006206
C 5.013151 1.214579 0.058043
C 1.108379 -1.309664 -0.634389
C 2.767864 -0.094387 0.610121
C 2.614110 -1.355721 -0.233790
C 0.516841 -0.428092 0.577593
C 4.666021 1.397011 -1.409626
C 5.956572 2.251203 0.648681
C 0.958524 -0.563029 -1.992069
C 0.403863 -2.649584 -0.734473
C -0.695783 0.440534 0.203996
C -2.043588 -0.075396 0.478454
C 0.938910 -3.887256 -0.580573
C -3.303903 0.570775 0.114488
C -2.385506 -1.274545 1.134413
C -4.366221 -0.280413 0.569023
C -3.626746 1.782732 -0.547646
C -5.729450 0.031622 0.385736
C -4.986588 2.102997 -0.736513
C -6.024931 1.240841 -0.277406
H 4.139819 0.789077 2.061875
H 3.301836 -1.410043 -1.093471
H 2.850583 -2.224689 0.413435
H 0.244938 -1.114250 1.404330
H 4.123944 2.349993 -1.553117
H 5.588341 1.432157 -2.017496
H 4.031543 0.582112 -1.789940
H 5.492264 3.254521 0.626373
H 6.209279 2.003754 1.693439
H 6.896343 2.293707 0.068260
H 1.334494 0.472300 -1.918766
H 1.519782 -1.103641 -2.775452
H -0.097961 -0.505577 -2.308846
H -0.663704 -2.572218 -0.998667
H 0.324290 -4.786846 -0.699786
H 1.998304 -4.049563 -0.350838
H -1.742746 -2.040342 1.564168
H -4.270863 -2.169609 1.616763
H -2.824651 2.440672 -0.890620
H -6.528677 -0.628554 0.740132
H -5.255463 3.035525 -1.244689
H -7.070962 1.522870 -0.440641


