%chk=000177258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177258

0 1
 O   -2.315500       1.494100       1.150700    
 O   -1.542300       1.138500      -2.243300    
 O    2.318600       2.395000      4.4399999E-02
 O    4.562700       1.295600     -0.8963000    
 N   -2.619500       1.148400     -0.1796000    
 N   0.5140000      0.9656000     -0.1065000    
 N   -2.259600      -2.253800       1.078100    
 N   -1.793500      -3.321400     -0.8128000    
 C  -0.4790000       1.994700     -0.2477000    
 C   -1.168500       2.351600       1.063300    
 C   -1.595900       1.404000      -1.051600    
 C   -3.923800      0.5676000     -0.3891000    
 C   -1.635100       3.802000       1.111100    
 C   -4.100500     -0.6993000      0.4480000    
 C    1.876100       1.246800      3.2900002E-02
 C   -3.092200      -1.767400      0.1340000    
 C    2.767800      8.2999997E-02  0.1340000    
 C   -2.806600      -2.418600      -1.018100    
 C    4.072800      0.1549000     -0.3339000    
 C    2.276900      -1.084100      0.7040000    
 C   -1.486600      -3.196700      0.4594000    
 C    4.902800     -0.9614000     -0.2298000    
 C    3.107000      -2.200200      0.8079000    
 C    4.419900      -2.138900      0.3410000    
 H  -4.9300000E-02   2.866900     -0.7493000    
 H  -0.5255000       2.153500       1.928100    
 H   -4.045100      0.3557000      -1.456900    
 H   -4.671700       1.314000     -0.1011000    
 H  -0.7863000       4.490500       1.058200    
 H   -2.323000       4.029800      0.2896000    
 H   -2.183100       3.992800       2.040100    
 H   0.1967000      2.7999999E-03 -0.1613000    
 H   -4.059400     -0.4503000       1.516200    
 H   -5.103000      -1.105900      0.2653000    
 H   -2.207000      -1.981600       2.051100    
 H   -3.262600      -2.300800      -1.990200    
 H    1.274200      -1.164100       1.112600    
 H  -0.7236000      -3.750400      0.9877000    
 H    5.928000     -0.9281000     -0.5891000    
 H    2.733800      -3.114800       1.259600    
 H    5.066600      -3.007600      0.4237000    
 H    5.487300       1.148400      -1.159500    


%chk=000177258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177258

0 1
O -2.825903 1.943232 0.498026
O -1.554364 0.462659 -2.513228
O 1.794437 2.032643 0.930295
O 4.424689 1.600277 -0.388573
N -2.942866 1.247252 -0.785471
N 0.507443 0.879017 -0.624729
N -2.740752 -1.538256 1.916364
N -1.121711 -2.482010 0.660363
C -0.647480 1.777341 -0.569111
C -1.327069 1.918068 0.822434
C -1.742855 1.103331 -1.436130
C -4.138339 0.431061 -0.968275
C -1.050584 3.186849 1.614581
C -4.368787 -0.562104 0.208594
C 1.658733 1.058765 0.126868
C -3.131356 -1.338682 0.580220
C 2.679414 -0.037918 -0.052334
C -2.114664 -1.936226 -0.174821
C 4.058412 0.256049 -0.242840
C 2.279982 -1.397582 0.036469
C -1.533225 -2.228853 1.918703
C 5.009890 -0.789459 -0.325988
C 3.226825 -2.442633 -0.046701
C 4.594376 -2.134513 -0.223774
H -0.390734 2.780372 -0.967417
H -1.137197 0.998290 1.409742
H -3.970264 -0.104910 -1.920526
H -5.029891 1.072981 -1.086184
H 0.017293 3.203676 1.886006
H -1.279367 4.080654 1.007918
H -1.666520 3.218506 2.530492
H 0.478638 0.160694 -1.357141
H -4.723723 0.010747 1.084797
H -5.194344 -1.236525 -0.092514
H -3.254839 -1.215017 2.735606
H -2.021077 -1.981336 -1.257566
H 1.223244 -1.648206 0.198704
H -1.007441 -2.513216 2.826828
H 6.070854 -0.550790 -0.478860
H 2.894983 -3.482431 0.032439
H 5.338687 -2.935962 -0.286882
H 5.404451 1.684963 -0.501481


