%chk=000159854.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159854

0 1
 O    1.277500      -2.311300      0.2868000    
 O   -1.277400       2.311300     -0.2865000    
 N    2.767000     -9.7000003E-02  0.5309000    
 N   -2.766900      9.7000003E-02 -0.5310000    
 C    3.563700     -0.8333000     -0.4464000    
 C    3.698800      0.6465000     -0.3121000    
 C   -3.563800      0.8331000      0.4461000    
 C   -3.699000     -0.6466000      0.3115000    
 C    1.431400      4.8500001E-02  0.2725000    
 C   -1.431400     -4.8500001E-02 -0.2724000    
 C   0.7750000       1.211200      0.1253000    
 C  -0.7749000      -1.211200     -0.1251000    
 C   0.6885000      -1.238900      0.1551000    
 C  -0.6885000       1.239000     -0.1543000    
 C    1.417800       2.570000      0.2219000    
 C   -1.417800      -2.569800     -0.2221000    
 H    3.057200      -1.211900      -1.323100    
 H    4.314300      -1.463300      7.3000002E-03
 H    4.545200       1.038300      0.2321000    
 H    3.310900       1.237700      -1.128800    
 H   -4.314200       1.463300     -7.7000000E-03
 H   -3.057600       1.211600       1.323000    
 H   -3.311400      -1.238100       1.128200    
 H   -4.545200      -1.038300     -0.2331000    
 H    2.366900       2.559700      0.7645000    
 H   -1.582300      -2.987500      0.7762000    
 H   0.7775000       3.263000      0.7798000    
 H   -2.366600      -2.559400     -0.7652000    
 H    1.581800       2.987600     -0.7765000    
 H  -0.7774000      -3.262900     -0.7797000    


%chk=000159854-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159854

0 1
O 1.400249 -2.355367 -0.084204
O -1.400270 2.355249 0.084196
N 2.805987 -0.000396 0.213444
N -2.805936 0.000355 -0.213640
C 3.815544 -0.873251 -0.404783
C 3.918789 0.658249 -0.513447
C -3.815645 0.873326 0.404205
C -3.919021 -0.658148 0.512976
C 1.433285 0.064416 0.072006
C -1.433286 -0.064535 -0.071662
C 0.745222 1.275563 0.116486
C -0.745222 -1.275690 -0.116049
C 0.712576 -1.272712 -0.040403
C -0.712606 1.272545 0.041357
C 1.448600 2.602737 0.304259
C -1.448535 -2.602821 -0.304381
H 3.520214 -1.443806 -1.290657
H 4.467036 -1.410404 0.291548
H 4.644918 1.201072 0.100285
H 3.689237 1.112375 -1.485122
H -4.466889 1.410450 -0.292383
H -3.520569 1.443942 1.290124
H -3.689816 -1.112152 1.484790
H -4.644989 -1.200997 -0.100920
H 2.131951 2.566895 1.173387
H -2.053654 -2.890473 0.576428
H 0.698089 3.392202 0.467444
H -2.131266 -2.566895 -1.173997
H 2.053059 2.890387 -0.577005
H -0.697955 -3.392316 -0.467082


