%chk=000116978.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116978

0 1
 O  -6.9999998E-04   3.719200     -0.8333000    
 O    3.510000     -0.5207000      3.7900001E-02
 O   -3.509700     -0.5214000      3.8100000E-02
 O    2.409900      -2.413400     -0.1757000    
 O   -2.409500      -2.413900     -0.1768000    
 N    2.437800      -1.167300     -3.5599999E-02
 N   -2.437500      -1.167900     -3.5200000E-02
 C  -1.9999999E-04   1.617100      0.2790000    
 C   -1.208200      0.9239000      0.2008000    
 C    1.207900      0.9243000      0.2003000    
 C    1.208100     -0.4617000      4.3699998E-02
 C   -1.207900     -0.4622000      4.4199999E-02
 C   1.9999999E-04  -1.154900     -3.4200002E-02
 C  -3.9999999E-04   3.099000      0.4468000    
 H   -2.137200       1.486300      0.2624000    
 H    2.136700       1.487100      0.2616000    
 H   3.0000001E-04  -2.235700     -0.1562000    
 H  -0.8827000       3.439500      0.9988000    
 H   0.8795000       3.440400       1.002900    
 H   0.7014000       3.312600      -1.369500    


%chk=000116978-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116978

0 1
O -0.925059 3.822195 -0.264286
O 3.612806 -0.714400 0.409196
O -3.491552 -0.355282 -0.353652
O 2.404589 -2.633209 0.151813
O -2.449819 -2.385500 -0.373882
N 2.503333 -1.353011 0.250380
N -2.442642 -1.100374 -0.281825
C 0.151391 1.626296 0.222029
C -1.091681 0.978364 0.032742
C 1.332529 0.852760 0.289717
C 1.248835 -0.550784 0.177364
C -1.126493 -0.426267 -0.079716
C 0.029207 -1.225763 -0.009903
C 0.208810 3.145374 0.363773
H -2.016470 1.559473 -0.023543
H 2.316067 1.313316 0.428134
H -0.017670 -2.313464 -0.100321
H 0.134325 3.428011 1.428770
H 1.179954 3.524331 -0.017044
H -0.862661 3.738235 -1.249748


