%chk=000043794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043794

0 1
 O    3.979200      -2.424700     -0.4425000    
 O    1.928600      -3.177900      0.1738000    
 O    5.221100       3.028900     -0.4740000    
 O    6.111100       1.062500     -0.8970000    
 N   0.1231000     -0.7807000      0.9274000    
 N   -2.556700     -0.1116000      0.4234000    
 N    2.652200      -2.170600      7.1000000E-03
 N    4.627000      -1.206700     -0.5697000    
 N    5.140200       1.774900     -0.5326000    
 C  -0.6302000      -1.594800     -3.0300001E-02
 C  -0.6978000     -0.2798000       2.030200    
 C   -1.748800     -0.7405000     -0.6372000    
 C   -1.816200      0.6041000       1.474700    
 C    1.334000     -0.1966000      0.5726000    
 C   -3.854300      0.2996000      9.5200002E-02
 C    2.500500     -0.8565000      0.1472000    
 C    1.550100       1.209200      0.5992000    
 C    3.757700     -0.2475000     -0.2204000    
 C   -4.824600     -0.6208000     -0.3664000    
 C   -4.248500       1.653300      0.2107000    
 C    2.775700       1.847900      0.2440000    
 C    3.925300       1.148700     -0.1786000    
 C   -6.116800     -0.2103000     -0.6942000    
 C   -5.540800       2.063900     -0.1169000    
 C   -6.474800       1.132100     -0.5693000    
 C   -7.116200      -1.206300      -1.176500    
 H   -1.058500      -2.461100      0.4886000    
 H  -5.4000001E-03  -1.974900     -0.8445000    
 H  -9.8099999E-02  0.2699000       2.765100    
 H   -1.135100      -1.134700       2.561800    
 H   -1.320700      4.7400001E-02  -1.269900    
 H   -2.357700      -1.382800      -1.283500    
 H   -2.483900      0.8650000       2.305200    
 H   -1.413200       1.536100       1.065500    
 H   0.7420000       1.869500      0.9086000    
 H   -4.560600      -1.673200     -0.4579000    
 H   -3.544900       2.411000      0.5476000    
 H    2.798100       2.935900      0.3116000    
 H   -5.818800       3.109600     -2.2900000E-02
 H   -7.477500       1.465400     -0.8235000    
 H   -8.139900     -0.8768000     -0.9684000    
 H   -7.010100      -1.352400      -2.256000    
 H   -6.982300      -2.170700     -0.6749000    


%chk=000043794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043794

0 1
O 3.856873 -2.628315 -0.695856
O 1.668364 -3.255247 0.279687
O 5.456935 2.829376 -0.427767
O 6.100992 0.809150 -1.299681
N 0.170889 -0.570034 1.022848
N -2.597868 0.039027 0.450142
N 2.441917 -2.299228 -0.026356
N 4.549197 -1.422301 -0.843517
N 5.259908 1.566413 -0.670351
C -0.634034 -1.486085 0.171058
C -0.682585 0.140980 2.000539
C -1.756866 -0.681251 -0.527875
C -1.822184 0.938013 1.319288
C 1.416782 -0.081559 0.654644
C -3.949683 0.362624 0.127788
C 2.438944 -0.936605 0.071757
C 1.810771 1.266589 0.862422
C 3.728691 -0.430985 -0.382548
C -4.782907 -0.598700 -0.517698
C -4.517046 1.621088 0.473389
C 3.065070 1.766745 0.438694
C 4.016478 0.968142 -0.209558
C -6.134190 -0.326405 -0.823178
C -5.873184 1.889800 0.184310
C -6.682261 0.934017 -0.461389
C -6.994926 -1.366703 -1.520920
H -1.070939 -2.275227 0.808609
H -0.006224 -1.967687 -0.590467
H -0.067503 0.796071 2.636920
H -1.142480 -0.630096 2.647412
H -1.287910 0.032419 -1.246444
H -2.373331 -1.379427 -1.113951
H -2.478862 1.336521 2.111293
H -1.397469 1.802728 0.755651
H 1.096762 1.971759 1.294099
H -4.385112 -1.591295 -0.758319
H -3.910407 2.402478 0.940584
H 3.308075 2.825176 0.572321
H -6.292903 2.864945 0.456994
H -7.731741 1.157120 -0.685231
H -7.956278 -1.510138 -0.994605
H -7.234726 -1.054657 -2.555462
H -6.489527 -2.346237 -1.576875


