%chk=000085813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085813

0 1
 O    4.281700     -0.5743000      0.1067000    
 N   -2.036800     -0.2151000     -0.2072000    
 N   -1.675900       3.184000     -0.4254000    
 C   -3.460800      5.1399998E-02 -6.6999998E-03
 C   -1.832400      -1.576900      0.2859000    
 C   -4.115800      -1.249500     -0.4465000    
 C   -3.046700      -2.320200     -0.2509000    
 C   -1.189300      0.7544000      0.4710000    
 C   0.2818000      0.3969000      0.3729000    
 C   -1.461100       2.113100     -3.2499999E-02
 C   0.9853000      0.1251000       1.530800    
 C   0.8804000      0.3525000     -0.8720000    
 C    2.337900     -0.2033000       1.440700    
 C    2.233000      2.4000000E-02 -0.9623000    
 C    2.961800     -0.2540000      0.1941000    
 C    4.856900     -0.6080000      -1.198500    
 H   -3.829800      0.8890000     -0.6074000    
 H   -3.700000      0.2426000       1.047600    
 H   -1.833600      -1.621000       1.382900    
 H  -0.9104000      -2.037200     -8.3200000E-02
 H   -4.404100      -1.203200      -1.503300    
 H   -5.016000      -1.464100      0.1381000    
 H   -3.377500      -3.101300      0.4411000    
 H   -2.819500      -2.796400      -1.212000    
 H   -1.457800      0.7677000       1.538400    
 H   0.5119000      0.1599000       2.507500    
 H   0.3249000      0.5645000      -1.781100    
 H    2.900400     -0.4191000       2.345000    
 H    2.654500      2.4000001E-03  -1.961400    
 H    4.832100      0.3780000      -1.674700    
 H    4.395300      -1.381600      -1.821700    
 H    5.910900     -0.8796000      -1.080400    


%chk=000085813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085813

0 1
O 4.401502 -0.466123 0.071425
N -2.083790 -0.234909 -0.111796
N -1.691556 3.225967 -0.189596
C -3.544644 0.057320 -0.036261
C -1.950904 -1.645810 0.348654
C -4.194579 -1.230191 -0.603266
C -3.138423 -2.360053 -0.345874
C -1.216175 0.717268 0.626783
C 0.273326 0.390694 0.452893
C -1.490782 2.104262 0.163139
C 1.122634 0.270010 1.579511
C 0.818116 0.218467 -0.839523
C 2.491282 -0.016879 1.421727
C 2.187619 -0.071623 -1.016538
C 3.028436 -0.186362 0.121051
C 5.013783 -0.628628 -1.250387
H -3.790747 0.963174 -0.615393
H -3.871379 0.224245 1.021997
H -2.049862 -1.718117 1.462379
H -0.967227 -2.056792 0.069367
H -4.382983 -1.120631 -1.684421
H -5.161322 -1.437656 -0.112986
H -3.536583 -3.173150 0.285442
H -2.812957 -2.805569 -1.301004
H -1.446476 0.706518 1.727353
H 0.713965 0.403033 2.588621
H 0.156514 0.302217 -1.708623
H 3.159676 -0.112509 2.282434
H 2.584242 -0.199644 -2.028106
H 4.909304 0.291459 -1.857238
H 4.573634 -1.486286 -1.795366
H 6.077658 -0.823001 -1.050895


