%chk=000158640.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158640

0 1
 O   -1.169100       3.425400     -0.5179000    
 N   -1.601000       2.171600      7.6099999E-02
 C    1.695100      0.3250000     -0.6313000    
 C   0.7129000       1.359800     -2.2200000E-02
 C  -0.7257000       1.164900     -0.5147000    
 C   -2.976200       2.003200     -0.3806000    
 C    3.143200      0.5510000     -0.2069000    
 C    1.274600      -1.122200     -0.4085000    
 C   -3.523100      0.6408000     -3.4000000E-03
 C   -3.846200       3.135700      0.1695000    
 C    4.152400      0.1843000      -1.070600    
 C    1.712000      -1.775400      0.7248000    
 C    3.392800       1.113700       1.026000    
 C   0.4702000      -1.733700      -1.347100    
 C   -3.105900      5.0799999E-02   1.175800    
 C   -4.425800      2.0400001E-02 -0.8476000    
 C    5.476300      0.3904000     -0.6824000    
 C    1.327300      -3.100700      0.9287000    
 C    4.716500       1.320000       1.414100    
 C   8.5500002E-02  -3.058900      -1.143200    
 C    5.758300      0.9583000      0.5599000    
 C   0.5140000      -3.742400     -5.2999998E-03
 C   -3.608900      -1.203100       1.522800    
 C   -4.928800      -1.233500     -0.5005000    
 C   -4.520400      -1.845200      0.6846000    
 H    1.676600      0.5100000      -1.717100    
 H   0.6818000       1.266500       1.070600    
 H    1.072000       2.370300     -0.2553000    
 H   -1.037800      0.1590000     -0.2367000    
 H  -0.7465000       1.220700      -1.611700    
 H   -2.998200       2.079800      -1.478400    
 H   -4.890800       3.006000     -0.1372000    
 H   -3.526000       4.118600     -0.1924000    
 H   -3.832000       3.157000       1.265800    
 H    3.941800     -0.2597000      -2.038800    
 H    2.322000      -1.307100       1.487900    
 H    2.620000       1.392900       1.731100    
 H   0.1342000      -1.213300      -2.238800    
 H   -2.420300      0.5353000       1.864600    
 H   -4.751400      0.4892000      -1.771400    
 H  -0.9367000       3.914800      0.2897000    
 H    6.287500      0.1081000      -1.347200    
 H    1.655500      -3.631400       1.817800    
 H    4.937200       1.757900       2.383400    
 H  -0.5478000      -3.558500      -1.870500    
 H    6.789000       1.117600      0.8628000    
 H   0.2130000      -4.773700      0.1541000    
 H   -3.295500      -1.677100       2.448400    
 H   -5.639000      -1.733300      -1.152700    
 H   -4.913100      -2.820900      0.9555000    


%chk=000158640-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158640

0 1
O -1.154292 3.541504 -0.243724
N -1.620950 2.154451 0.174185
C 1.728613 0.352360 -0.652812
C 0.726927 1.303517 0.063290
C -0.688718 1.224491 -0.530335
C -3.039952 2.034763 -0.334635
C 3.192601 0.601273 -0.253050
C 1.336877 -1.122208 -0.452880
C -3.592860 0.654434 0.024013
C -3.911572 3.149323 0.284054
C 4.225763 0.084874 -1.079761
C 1.576548 -1.776999 0.783430
C 3.564096 1.308250 0.918124
C 0.695715 -1.847399 -1.488271
C -3.473631 0.143910 1.342775
C -4.286486 -0.110222 -0.945665
C 5.585433 0.270148 -0.752379
C 1.180043 -3.117474 0.979648
C 4.926082 1.495000 1.252800
C 0.298668 -3.191095 -1.297167
C 5.942755 0.977902 0.420149
C 0.538141 -3.831041 -0.060366
C -4.036955 -1.105460 1.681040
C -4.858855 -1.358075 -0.606970
C -4.734989 -1.860294 0.708480
H 1.650088 0.563700 -1.740293
H 0.668503 1.058217 1.141532
H 1.087026 2.345083 -0.028496
H -1.102006 0.207964 -0.406749
H -0.661057 1.454006 -1.621671
H -3.050096 2.152098 -1.443698
H -4.965272 3.013932 -0.016172
H -3.570737 4.140559 -0.057289
H -3.861575 3.108811 1.387456
H 3.956146 -0.473164 -1.985468
H 2.091806 -1.237992 1.587631
H 2.793219 1.725666 1.574212
H 0.506126 -1.357249 -2.451862
H -2.922180 0.725004 2.090112
H -4.379611 0.272867 -1.969716
H -1.031429 3.993883 0.630774
H 6.365069 -0.134972 -1.407721
H 1.375809 -3.608640 1.939919
H 5.191298 2.046480 2.162387
H -0.196679 -3.734865 -2.109765
H 6.997716 1.124533 0.677913
H 0.232197 -4.872333 0.091270
H -3.930865 -1.493229 2.700749
H -5.394238 -1.937717 -1.367695
H -5.172759 -2.829675 0.972267


