%chk=000178500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178500

0 1
 O    4.667800      5.2499998E-02  0.2428000    
 O   -3.541400       2.021300     -5.5799998E-02
 O   -1.253600       3.340700     -0.3931000    
 N    1.242800     -0.6701000     -0.2803000    
 N    4.104600      0.8703000       1.215100    
 C   -1.214400     -0.7536000     -3.2600001E-02
 C   5.2800000E-02  9.3999999E-03 -0.2243000    
 C   -2.453300     -8.8000000E-02  2.7400000E-02
 C   2.5300000E-02   1.348600     -0.3413000    
 C    2.507300     -0.2278000      0.1109000    
 C   -1.239400      -2.155000      9.6900001E-02
 C   -2.504500       1.378200     -9.8700002E-02
 C   -3.658200     -0.7829000      0.2063000    
 C   -1.222900       2.124400     -0.2886000    
 C    3.680100     -0.6055000     -0.4162000    
 C   -2.439800      -2.852400      0.2765000    
 C   -3.647500      -2.167500      0.3305000    
 C    2.786900      0.6768000       1.108900    
 C    4.107500      -1.519500      -1.484400    
 H    1.186000      -1.547700     -0.7915000    
 H   0.9207000       1.938200     -0.5104000    
 H  -0.3240000      -2.741200      7.0299998E-02
 H   -4.610000     -0.2606000      0.2512000    
 H   -2.425200      -3.934200      0.3754000    
 H   -4.577300      -2.710500      0.4700000    
 H    2.132400       1.211100       1.782000    
 H    4.944200      -1.096300      -2.049300    
 H    3.293500      -1.714400      -2.189300    
 H    4.428800      -2.476100      -1.061100    


%chk=000178500-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178500

0 1
O 4.769862 0.165806 -0.021685
O -3.596590 1.989779 -0.369918
O -1.147431 3.403727 -0.414095
N 1.250475 -0.754271 0.081666
N 4.313730 1.036017 1.085231
C -1.207461 -0.806090 0.066010
C 0.061845 -0.029818 -0.004308
C -2.450247 -0.114974 -0.077369
C 0.058347 1.352285 -0.147588
C 2.544254 -0.196807 0.213254
C -1.240325 -2.210428 0.273828
C -2.501808 1.375210 -0.249160
C -3.672440 -0.826819 -0.036832
C -1.155662 2.139666 -0.270064
C 3.675228 -0.540185 -0.523887
C -2.464355 -2.913329 0.310885
C -3.687543 -2.223277 0.149732
C 2.996882 0.773372 1.182525
C 3.912343 -1.463996 -1.672426
H 1.192799 -1.771274 0.043713
H 0.996970 1.908995 -0.221174
H -0.323810 -2.789590 0.436240
H -4.598664 -0.253830 -0.150089
H -2.461474 -3.996344 0.472749
H -4.636259 -2.768323 0.178923
H 2.411987 1.289897 1.943526
H 4.597604 -1.001037 -2.402817
H 2.960376 -1.689562 -2.182351
H 4.370566 -2.416597 -1.347219


