%chk=000115905.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115905

1 1
 O   0.3957000     -0.5832000     -0.4506000    
 O  -0.8375000      4.3299999E-02   1.382900    
 N    4.011700      0.2658000     -9.0899996E-02
 N   -1.816100      -1.016700     -0.4338000    
 C    2.753600     -0.2621000     -0.7650000    
 C    4.227400     -0.4666000       1.225600    
 C    5.209400      3.6100000E-02  -1.001500    
 C    3.856700       1.755900      0.1771000    
 C    1.568500     -5.9300002E-02  0.1583000    
 C   -3.928600      0.2031000     -0.3719000    
 C   -3.175200      -1.055700      5.4600000E-02
 C   -5.377100      0.1724000      0.1169000    
 C  -0.7645000     -0.4710000      0.2717000    
 C   -6.124000       1.438000     -0.2732000    
 H    2.618200      0.2696000      -1.714600    
 H    2.903300      -1.324500     -0.9925000    
 H    4.139100      -1.542700       1.049700    
 H    5.236200     -0.2306000       1.580400    
 H    3.510500     -0.1212000       1.974500    
 H    5.033700      0.5658000      -1.942500    
 H    6.105200      0.4239000     -0.5076000    
 H    5.307000      -1.039100      -1.178500    
 H    3.533900       2.247700     -0.7453000    
 H    3.144100       1.923000      0.9882000    
 H    4.832400       2.146100      0.4852000    
 H    1.693200     -0.5869000       1.107400    
 H    1.384600       1.001100      0.3528000    
 H   -3.907400      0.2943000      -1.465200    
 H   -3.421700       1.090600      2.7100001E-02
 H   -3.162500      -1.146700       1.146100    
 H   -3.646900      -1.950800     -0.3637000    
 H   -5.399700      6.4999998E-02   1.207700    
 H   -5.894000     -0.6969000     -0.3059000    
 H   -1.624500      -1.407000      -1.351500    
 H   -7.157200       1.394000      8.5100003E-02
 H   -5.650500       2.323300      0.1630000    
 H   -6.146300       1.560600      -1.360700    


%chk=000115905-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115905

1 1
O 0.452067 -1.745087 0.192310
O 0.107707 0.452049 0.992805
N 3.650604 0.296563 -0.048292
N -1.686703 -0.962453 0.400938
C 2.490845 -0.588387 -0.565162
C 4.842988 -0.569228 0.349841
C 4.062132 1.227243 -1.191370
C 3.204096 1.157559 1.145765
C 1.874537 -1.536808 0.494458
C -3.779230 0.097140 -0.502185
C -2.802107 -0.031639 0.685197
C -4.959844 1.038836 -0.167762
C -0.383198 -0.635778 0.575397
C -5.961012 1.166533 -1.335459
H 1.714174 0.109022 -0.915124
H 2.888463 -1.150327 -1.427494
H 5.208056 -1.113556 -0.534804
H 5.640059 0.078617 0.745801
H 4.531549 -1.282480 1.127150
H 3.231820 1.917730 -1.403089
H 4.953230 1.797827 -0.888304
H 4.288561 0.626732 -2.085790
H 2.163550 1.478657 0.986013
H 3.255436 0.562742 2.068673
H 3.888595 2.015375 1.226706
H 2.310366 -2.546078 0.452343
H 1.973038 -1.126924 1.514900
H -4.179746 -0.902605 -0.770632
H -3.236193 0.474907 -1.390507
H -2.353328 0.945433 0.932866
H -3.345961 -0.385454 1.583171
H -4.566847 2.041344 0.096075
H -5.486598 0.661637 0.731852
H -1.899936 -1.908522 0.075562
H -6.790507 1.847878 -1.076387
H -5.469106 1.564832 -2.242367
H -6.400857 0.185271 -1.593692


