%chk=000125541.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125541

0 1
 O   0.7553000     -0.3119000      0.5442000    
 O    2.261100       2.006100       1.252700    
 O    2.539700      -2.160600     -0.6979000    
 O   0.2601000      0.6845000      -1.472000    
 N    2.089500     -9.0899996E-02  0.2620000    
 N   -4.821600       1.365100     -0.7100000    
 C    4.130600      0.9522000      0.1335000    
 C    4.223100     -0.4311000     -0.5142000    
 C    2.716600       1.054300      0.6380000    
 C    2.856400      -1.036600     -0.3407000    
 C   -1.509800     -0.1224000     -9.3599997E-02
 C  -8.8500001E-02  0.1352000     -0.4380000    
 C   -2.477700      0.7414000     -0.5638000    
 C   -1.818400      -1.218600      0.6857000    
 C   -3.812700      0.4983000     -0.2405000    
 C   -3.153200      -1.461700       1.008900    
 C   -4.150400     -0.6033000      0.5458000    
 H    4.322300       1.745700     -0.5948000    
 H    4.830200       1.046700      0.9690000    
 H    4.970800      -1.054000     -1.4700000E-02
 H    4.462800     -0.3562000      -1.578900    
 H   -2.213900       1.601300      -1.173900    
 H   -1.061500      -1.908300       1.047000    
 H   -3.416800      -2.321000       1.618500    
 H   -5.187100     -0.8042000      0.8036000    
 H   -4.577400       2.165500      -1.277900    
 H   -5.789300       1.190600     -0.4735000    


%chk=000125541-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125541

0 1
O 0.798782 -0.498798 0.537426
O 2.405871 1.569127 1.779193
O 2.389696 -1.828108 -1.491264
O 0.298216 1.094200 -1.139166
N 2.152406 -0.213037 0.232005
N -4.909293 1.061844 -1.088433
C 4.276107 0.796783 0.292276
C 4.271300 -0.323477 -0.783381
C 2.866687 0.822469 0.894339
C 2.858600 -0.918597 -0.780264
C -1.524998 -0.028760 0.063177
C -0.126095 0.294589 -0.291334
C -2.536213 0.650223 -0.660179
C -1.853475 -0.968555 1.076092
C -3.906650 0.400146 -0.382625
C -3.215887 -1.212991 1.348299
C -4.232661 -0.545213 0.636753
H 4.491964 1.793361 -0.128309
H 5.005228 0.617100 1.100502
H 4.995696 -1.128303 -0.571789
H 4.487640 0.054123 -1.796835
H -2.241885 1.368444 -1.433999
H -1.064758 -1.484467 1.626898
H -3.491835 -1.933457 2.125670
H -5.285696 -0.750856 0.865450
H -4.678868 1.733636 -1.814563
H -5.889677 0.884674 -0.891440


