%chk=000053481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053481

0 1
 O    5.565400      0.7676000     -0.1965000    
 O    2.707800      -1.122500      0.3278000    
 O  -0.7714000       2.380500      8.4299996E-02
 O   -3.051100       2.568100     -8.2900003E-02
 N   -2.731000      -1.688400     -7.1000002E-02
 C    4.653800     -0.1925000     -0.7108000    
 C    5.670400     -0.5723000      0.3022000    
 C    3.229000      6.3500002E-02 -0.2682000    
 C  -0.8861000     -0.4416000      6.6900000E-02
 C   -1.359500      -1.754800      2.9100001E-02
 C   -2.020400      0.4138000     -1.3700000E-02
 C   -3.139700     -0.3820000     -9.7800002E-02
 C    1.363600      -1.325400      0.2289000    
 C   0.5023000     -0.2239000      0.1687000    
 C  -0.5105000      -2.865700      8.8399999E-02
 C   0.8629000      -2.625200      0.1892000    
 C   -3.611500      -2.836700     -0.1363000    
 C   -4.568300     -1.3100000E-02 -0.2012000    
 C   -2.039500       1.850300     -1.0900000E-02
 C  -0.6634000       3.808600      9.7400002E-02
 C   0.7970000       4.191800      0.2063000    
 H    4.760300     -0.5425000      -1.726600    
 H    5.361200     -0.7496000       1.324000    
 H    6.521200      -1.158300     -2.0400001E-02
 H    2.667600      0.3569000      -1.164300    
 H    3.191800      0.8775000      0.4659000    
 H   0.8920000      0.7837000      0.2333000    
 H  -0.8817000      -3.883900      5.5300001E-02
 H    1.545400      -3.470600      0.2360000    
 H   -4.411200      -2.707900      0.5980000    
 H   -4.017900      -2.897800      -1.149200    
 H   -3.072500      -3.754800      0.1001000    
 H   -4.945200      0.3151000      0.7730000    
 H   -4.708400      0.8049000     -0.9153000    
 H   -5.205200     -0.8305000     -0.5500000    
 H   -1.085400       4.213300     -0.8291000    
 H   -1.216800       4.207000      0.9547000    
 H   0.9169000       5.278600      0.2182000    
 H    1.236900       3.776700       1.119100    
 H    1.366400       3.781500     -0.6344000    


%chk=000053481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053481

0 1
O 5.678137 0.940901 -0.110901
O 2.738587 -1.383632 -0.342787
O -0.735777 2.401076 0.016989
O -3.050854 2.631371 0.171807
N -2.831484 -1.729690 -0.030637
C 4.847071 -0.268752 -0.470600
C 5.719044 -0.309108 0.743460
C 3.355355 -0.049588 -0.352034
C -0.897620 -0.487329 -0.095736
C -1.426435 -1.817591 -0.120778
C -2.039799 0.412521 0.012695
C -3.209587 -0.388577 0.050046
C 1.328592 -1.434576 -0.267083
C 0.505493 -0.292753 -0.170939
C -0.600222 -2.957330 -0.219417
C 0.788537 -2.754069 -0.293046
C -3.718634 -2.894521 -0.027377
C -4.646937 0.029413 0.156582
C -2.043505 1.872509 0.076018
C -0.644409 3.888042 0.075691
C 0.837377 4.242923 -0.014503
H 5.181071 -0.790871 -1.375901
H 5.258573 -0.202508 1.733499
H 6.667002 -0.858338 0.709052
H 2.977584 0.538763 -1.213385
H 3.120390 0.500575 0.581711
H 0.898805 0.724119 -0.149308
H -1.011470 -3.971767 -0.240140
H 1.482113 -3.596461 -0.370928
H -4.763175 -2.569360 0.084813
H -3.626732 -3.459092 -0.973485
H -3.469928 -3.569583 0.811825
H -5.125087 -0.373860 1.070258
H -4.692115 1.127980 0.196839
H -5.240263 -0.314618 -0.712562
H -1.230639 4.310529 -0.760531
H -1.103663 4.231849 1.020379
H 0.963245 5.340314 0.026963
H 1.402687 3.799171 0.823427
H 1.273870 3.881317 -0.961777


