%chk=000041728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041728

0 1
 O    1.256700      -1.515300      0.5768000    
 N    2.130600       1.457900       1.450800    
 C    1.593600       1.370700      8.9299999E-02
 C    2.634400      0.8097000     -0.8960000    
 C   0.2701000      0.6334000      4.5400001E-02
 C    3.182200     -0.5858000     -0.5875000    
 C   0.1612000     -0.7440000      0.2890000    
 C    2.103500      -1.659100     -0.5659000    
 C  -0.9102000       1.353600     -0.2028000    
 C   -2.154300      0.7184000     -0.1989000    
 C   -1.084600      -1.377800      0.3185000    
 C   -2.241400     -0.6458000      6.5399997E-02
 C   -3.380300       1.527300     -0.4710000    
 C   -3.561500      -1.343300      8.6900003E-02
 H    1.414600       2.405700     -0.2305000    
 H    3.487100       1.501000     -0.9346000    
 H    2.204400      0.8032000      -1.906700    
 H    3.920500     -0.8433000      -1.356200    
 H    3.711400     -0.5712000      0.3721000    
 H    1.532600      -1.683200      -1.504300    
 H    2.585900      -2.638600     -0.4708000    
 H  -0.8536000       2.423800     -0.3925000    
 H   -1.138600      -2.442500      0.5324000    
 H    2.296100      0.5248000       1.825000    
 H    1.444600       1.896600       2.064100    
 H   -3.138300       2.575400     -0.6793000    
 H   -3.911700       1.140700      -1.346700    
 H   -4.049300       1.515800      0.3956000    
 H   -4.051500      -1.271800     -0.8895000    
 H   -3.453900      -2.409200      0.3167000    
 H   -4.213300     -0.9125000      0.8540000    


%chk=000041728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041728

0 1
O 1.270761 -1.572961 0.540796
N 2.178738 1.336180 1.463945
C 1.610423 1.352277 0.086002
C 2.671813 0.839976 -0.926524
C 0.258985 0.627166 -0.008067
C 3.277037 -0.540766 -0.593513
C 0.134829 -0.762759 0.253336
C 2.264298 -1.695152 -0.561555
C -0.937546 1.345207 -0.249731
C -2.219325 0.743124 -0.219943
C -1.128585 -1.384320 0.301050
C -2.317675 -0.651341 0.071890
C -3.463311 1.572326 -0.486348
C -3.667280 -1.344744 0.127752
H 1.427580 2.414856 -0.166033
H 3.492525 1.581330 -0.942813
H 2.217638 0.819670 -1.937775
H 4.044971 -0.790620 -1.354412
H 3.805191 -0.491716 0.377408
H 1.720919 -1.774756 -1.525219
H 2.774697 -2.651660 -0.354103
H -0.866562 2.421828 -0.457027
H -1.168080 -2.457421 0.517706
H 2.265902 0.375508 1.823211
H 1.624179 1.906699 2.114253
H -3.205243 2.623520 -0.700035
H -4.036621 1.183639 -1.350364
H -4.154190 1.564096 0.379348
H -4.208505 -1.261351 -0.834749
H -3.557202 -2.417011 0.361478
H -4.323358 -0.896223 0.898838


