%chk=000133259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133259

0 1
 O   -4.420900       1.512700     -0.5004000    
 O    5.570300      0.9657000      0.4845000    
 O    6.901200      -1.075500     -0.4224000    
 O    5.972500      -3.060000      0.2754000    
 N   -2.736100     -0.1208000     -0.6181000    
 N    3.250700      0.8440000      0.2029000    
 N    1.919100       2.813600      0.4281000    
 N    2.250200      -1.258700     -0.3032000    
 C   -5.532300      -1.474400      0.3152000    
 C   -5.062600     -0.7665000     -0.9892000    
 C   -6.150500     -0.4566000       1.298400    
 C   -6.490700      -2.640200      3.8600001E-02
 C   -6.209400     -0.2304000      -1.850400    
 C   -4.057100      0.3525000     -0.6720000    
 C   -6.578300      -1.074700       2.623300    
 C   -1.569900      0.5999000     -0.3580000    
 C   0.8308000      0.6782000     -8.8100001E-02
 C  -0.3362000     -4.9899999E-02 -0.3483000    
 C   0.7709000       2.053700      0.1629000    
 C    2.156400      1.5000000E-02 -7.1500003E-02
 C   -1.639700       1.968900     -0.1100000    
 C  -0.4747000       2.691900      0.1493000    
 C    3.054500       2.195700      0.4352000    
 C    4.547900      0.3258000      0.2467000    
 C    4.634700      -1.131300     -2.3900000E-02
 C    3.504500      -1.801100     -0.2732000    
 C    5.894600      -1.877600     -3.1800002E-02
 H   -4.638700      -1.895600      0.7968000    
 H   -4.542300      -1.514700      -1.603500    
 H   -5.425500      0.3293000       1.534300    
 H   -7.023200      3.3100002E-02  0.8532000    
 H   -7.483000      -2.286900     -0.2594000    
 H   -6.100000      -3.280200     -0.7596000    
 H   -6.610100      -3.270500      0.9256000    
 H   -6.808500      0.5189000      -1.324400    
 H   -5.811500      0.2545000      -2.749500    
 H   -6.873900      -1.034200      -2.180400    
 H   -7.424800      -1.755800       2.496200    
 H   -5.752800      -1.624400       3.086200    
 H   -6.892800     -0.2890000       3.318300    
 H   -2.599100      -1.115800     -0.7817000    
 H  -0.2930000      -1.118600     -0.5436000    
 H   -2.555500       2.542600     -9.9500000E-02
 H  -0.5431000       3.760200      0.3420000    
 H    3.972900       2.766600      0.6407000    
 H    3.524100      -2.867000     -0.4810000    
 H    7.762500      -1.544700     -0.4412000    


%chk=000133259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133259

0 1
O -4.434785 1.547909 -0.434468
O 5.616146 1.072979 0.421568
O 7.107784 -1.236893 0.003033
O 5.955386 -3.176583 -0.525126
N -2.742746 -0.071256 -0.599837
N 3.277641 0.839084 0.163632
N 1.985829 2.851048 0.513784
N 2.243459 -1.266222 -0.410332
C -5.588376 -1.425926 0.387295
C -5.079608 -0.777904 -0.961341
C -6.515537 -0.475420 1.193304
C -6.258044 -2.793061 0.104553
C -6.211989 -0.243548 -1.865941
C -4.083223 0.351821 -0.652319
C -6.760384 -0.941965 2.645636
C -1.578208 0.681305 -0.310809
C 0.858351 0.717536 -0.077858
C -0.336657 0.011860 -0.349804
C 0.817753 2.118526 0.240813
C 2.150543 0.050555 -0.116259
C -1.624617 2.080899 0.008517
C -0.440898 2.775887 0.277907
C 3.137882 2.214023 0.468422
C 4.678796 0.284443 0.157062
C 4.697395 -1.134728 -0.168581
C 3.493216 -1.817003 -0.428726
C 5.937577 -1.946768 -0.250180
H -4.687781 -1.619391 1.012005
H -4.540074 -1.581031 -1.509060
H -6.073236 0.538686 1.207952
H -7.486915 -0.384851 0.667924
H -7.187940 -2.670731 -0.480767
H -5.585125 -3.465364 -0.460787
H -6.522977 -3.303414 1.046982
H -6.671644 0.653733 -1.420932
H -5.818934 0.042410 -2.858025
H -6.992765 -1.008486 -2.017557
H -7.286334 -1.913216 2.687746
H -5.805664 -1.050115 3.195103
H -7.378830 -0.207490 3.192969
H -2.583704 -1.059057 -0.814633
H -0.257666 -1.054370 -0.589975
H -2.593799 2.581862 0.030591
H -0.456301 3.841874 0.521857
H 4.080548 2.726989 0.669600
H 3.552275 -2.883699 -0.668471
H 7.875783 -1.867240 -0.076967


