%chk=000168948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168948

0 1
 O   -2.392900     -0.3089000      0.8814000    
 O   -3.843200       2.264600     -1.5799999E-02
 O   -4.162800      -2.448700      0.5587000    
 N  -0.1669000     -7.9300001E-02  9.4300002E-02
 N    1.313400      -1.718100     -0.2353000    
 N    1.351300       1.797600      0.3712000    
 N    3.680100       1.094400      0.1759000    
 N    4.305600      -1.178000     -0.2391000    
 C   -1.457500      0.5818000      0.2490000    
 C   -3.560500       1.043500     -0.6957000    
 C   -2.093400       1.027900      -1.059700    
 C   -3.690200     -0.1243000      0.2764000    
 C   -4.076900      -1.424000     -0.4159000    
 C    1.069100      0.5038000      0.1562000    
 C   3.5300002E-02  -1.415500     -0.1422000    
 C    1.971000     -0.5278000     -5.0900001E-02
 C    3.321700     -0.1948000     -3.6200002E-02
 C    2.687300       1.997100      0.3636000    
 C    5.709400     -0.8912000     -0.2360000    
 H   -1.306900       1.427800      0.9301000    
 H   -4.226600      0.9824000      -1.560300    
 H   -1.911600      0.2930000      -1.852800    
 H   -1.704400       1.996900      -1.387500    
 H   -4.392900      8.9299999E-02   1.089900    
 H   -3.322600      -1.725200      -1.149800    
 H   -5.047500      -1.329200     -0.9126000    
 H  -0.7803000      -2.118700     -0.2425000    
 H   -3.368000       2.271600      0.8317000    
 H   -4.411500      -3.266100      9.4200000E-02
 H    3.010500       3.019100      0.5305000    
 H    3.995200      -2.130400     -0.3951000    
 H    6.277200      -1.809600     -0.4139000    
 H    6.026400     -0.4831000      0.7292000    
 H    5.968100     -0.1790000      -1.026200    


%chk=000168948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168948

0 1
O -2.707737 -0.023950 1.208948
O -4.492134 2.086618 -0.057127
O -3.154313 -2.602248 -0.052217
N -0.385579 0.020698 0.589938
N 1.033769 -1.782583 0.613571
N 1.219303 1.791798 -0.120841
N 3.484474 0.884426 -0.468135
N 4.007344 -1.410100 -0.147223
C -1.603561 0.847687 0.804322
C -3.544333 1.150456 -0.673348
C -2.065847 1.591758 -0.483896
C -3.593492 -0.230315 0.021178
C -3.143574 -1.388098 -0.876888
C 0.869358 0.509417 0.206428
C -0.226935 -1.355964 0.835854
C 1.727884 -0.621609 0.224972
C 3.092558 -0.392715 -0.133388
C 2.544884 1.881094 -0.442669
C 5.417680 -1.214257 -0.497774
H -1.402303 1.528842 1.648375
H -3.848748 1.120098 -1.731221
H -1.441152 1.296508 -1.342476
H -1.995174 2.684510 -0.378761
H -4.588919 -0.451527 0.438730
H -2.133179 -1.200029 -1.296427
H -3.867373 -1.468299 -1.716817
H -1.069119 -1.970844 1.146423
H -4.335076 2.091808 0.923098
H -2.924790 -3.385133 -0.613190
H 2.906982 2.877443 -0.714794
H 3.664190 -2.334262 0.117982
H 5.939872 -2.182535 -0.428182
H 5.899557 -0.491146 0.184397
H 5.520481 -0.818643 -1.524041


