%chk=000159032.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159032

0 1
 O  -0.5170000      0.1347000      0.5984000    
 O   -2.823200      -1.148800       1.799500    
 N   -4.773800     -0.2171000     -0.1021000    
 C   -2.517800      -1.178400      0.3914000    
 C   -3.336100     -6.7800000E-02 -0.3157000    
 C   -1.068800      -1.038400      0.1919000    
 C    1.120300      -1.164000     -0.2543000    
 C   -5.508100      0.8464000     -0.7706000    
 C   0.8165000      5.9300002E-02  0.3271000    
 C  -0.1090000      -1.869200     -0.3381000    
 C    3.442800     -0.4478000     -0.3613000    
 C    2.456100      -1.425100     -0.6057000    
 C    3.089600      0.7897000      0.2350000    
 C    1.755100       1.055800      0.5886000    
 C   -5.076600       2.207200     -0.2312000    
 C   -7.005400      0.6295000     -0.5761000    
 C    4.783800     -0.6840000     -0.7029000    
 C    4.090200       1.746100      0.4678000    
 C    5.763900      0.2793000     -0.4631000    
 C    5.417600       1.492500      0.1213000    
 H   -2.846700      -2.157000      2.2299999E-02
 H   -3.103300     -7.6499999E-02  -1.388100    
 H   -2.986800      0.8834000      9.8999999E-02
 H   -5.311000      0.8157000      -1.850000    
 H   -5.077800      -1.124900     -0.4528000    
 H  -0.2716000      -2.861000     -0.7363000    
 H    2.717200      -2.376800      -1.062300    
 H    1.456600       1.993700       1.046000    
 H   -5.775200       2.985000     -0.5617000    
 H   -5.066400       2.227900      0.8647000    
 H   -4.091600       2.511200     -0.5990000    
 H   -7.319600     -0.3394000     -0.9799000    
 H   -7.580300       1.404600      -1.094600    
 H   -7.281100      0.6600000      0.4842000    
 H    5.079500      -1.625700      -1.161400    
 H   -2.603500     -0.2611000       2.131100    
 H    3.844700       2.703200      0.9240000    
 H    6.797000      8.0899999E-02 -0.7332000    
 H    6.179800       2.243200      0.3083000    


%chk=000159032-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159032

0 1
O -0.794397 0.086102 0.042823
O -3.208815 -1.263023 1.322341
N -4.768783 -0.326071 -0.503016
C -2.657057 -1.562642 0.005113
C -3.449028 -0.700257 -1.066839
C -1.186671 -1.288794 -0.026637
C 1.101733 -1.266983 -0.095081
C -5.148828 1.123540 -0.550516
C 0.617447 0.086924 0.006874
C -0.083613 -2.111188 -0.115967
C 3.376954 -0.373504 -0.095588
C 2.483844 -1.490607 -0.146429
C 2.850875 0.985033 0.010231
C 1.434515 1.204116 0.062729
C -4.312123 1.934093 0.462312
C -6.657199 1.243746 -0.257110
C 4.802648 -0.554880 -0.144558
C 3.776350 2.082268 0.061279
C 5.672309 0.533882 -0.093318
C 5.153682 1.866364 0.010932
H -2.792252 -2.643365 -0.218027
H -3.537735 -1.268860 -2.011477
H -2.879373 0.219568 -1.276784
H -4.955438 1.529497 -1.571141
H -5.531478 -0.925473 -0.841355
H -0.113385 -3.197648 -0.170441
H 2.892454 -2.504491 -0.221204
H 1.025851 2.215419 0.147022
H -4.531107 3.012481 0.356208
H -4.552709 1.625425 1.495568
H -3.227848 1.787290 0.315219
H -7.262870 0.706772 -1.012608
H -6.968392 2.302760 -0.266565
H -6.889374 0.824549 0.739214
H 5.198844 -1.574686 -0.222800
H -4.100435 -0.823736 1.066718
H 3.379756 3.101519 0.142443
H 6.755806 0.376522 -0.131288
H 5.845843 2.714635 0.051923


