%chk=000040049.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040049

0 1
 O  -0.6617000      1.4200000E-02 -0.1902000    
 O   -1.411400       2.113300     -0.7653000    
 O   -6.654000      -1.075200      0.5249000    
 N    2.998700     -0.3889000     -0.3250000    
 N    5.745200     -8.4399998E-02  0.5250000    
 N   -5.490400     -0.6044000      0.3086000    
 C    3.400200      0.6938000      0.5815000    
 C    3.877000      -1.552500     -0.1535000    
 C    4.866300       1.079100      0.3555000    
 C    5.342900      -1.167200     -0.3808000    
 C    1.601200     -0.7567000     -0.1071000    
 C    7.142400      0.2841000      0.3053000    
 C   0.6845000      0.4210000     -0.3978000    
 C   -1.613800      0.9625000     -0.4103000    
 C   -2.970500      0.4145000     -0.1586000    
 C   -3.959700       1.261900      0.2838000    
 C   -3.197700     -0.9247000     -0.3756000    
 C   -5.226300      0.7357000      0.5157000    
 C   -4.472800      -1.426300     -0.1363000    
 H    3.247900      0.4081000       1.631100    
 H    2.830500       1.609200      0.3990000    
 H    3.609400      -2.329800     -0.8796000    
 H    3.760500      -1.987200      0.8487000    
 H    4.983800       1.515500     -0.6459000    
 H    5.135700       1.854800       1.082900    
 H    5.964100      -2.052700     -0.1987000    
 H    5.489300     -0.8754000      -1.429700    
 H    1.428900      -1.120500      0.9147000    
 H    1.319200      -1.582700     -0.7731000    
 H    7.451100       1.060600       1.013900    
 H    7.319100      0.6547000     -0.7109000    
 H    7.798400     -0.5765000      0.4773000    
 H   0.8087000      0.7561000      -1.434700    
 H   0.8651000       1.260800      0.2785000    
 H   -3.779300       2.317800      0.4581000    
 H   -2.430200      -1.601200     -0.7371000    
 H   -6.066600       1.318300      0.8642000    
 H   -4.750700      -2.460300     -0.2797000    


%chk=000040049-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040049

0 1
O -0.691493 -0.004785 -0.188800
O -1.456374 2.134556 -0.736724
O -6.901367 -1.044514 0.499512
N 3.039985 -0.310061 -0.167122
N 5.880243 -0.164050 0.393425
N -5.672377 -0.586571 0.294402
C 3.563509 0.514656 0.952705
C 3.934113 -1.470280 -0.413718
C 4.990567 0.994423 0.643567
C 5.359758 -0.986028 -0.723968
C 1.620774 -0.693667 0.005269
C 7.285255 0.237444 0.192479
C 0.706423 0.459144 -0.426642
C -1.693683 0.949015 -0.389862
C -3.044688 0.390038 -0.145301
C -4.178250 1.231087 -0.308293
C -3.269870 -0.957216 0.246063
C -5.464586 0.742655 -0.090102
C -4.565632 -1.425796 0.459318
H 3.577170 -0.067892 1.908148
H 2.910006 1.394099 1.097481
H 3.544875 -2.040914 -1.277281
H 3.974233 -2.154966 0.470072
H 4.955589 1.685472 -0.237477
H 5.382359 1.561793 1.508633
H 6.022948 -1.861068 -0.859590
H 5.342923 -0.410943 -1.685501
H 1.377134 -0.988916 1.054931
H 1.409153 -1.568838 -0.635815
H 7.644482 0.790868 1.078763
H 7.436867 0.888029 -0.706433
H 7.915873 -0.661974 0.073248
H 0.833680 0.691725 -1.497774
H 0.874857 1.383386 0.153564
H -4.036240 2.272966 -0.609470
H -2.425427 -1.636438 0.382663
H -6.379664 1.326042 -0.195606
H -4.818126 -2.443082 0.760039


