%chk=000000804.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000804

0 1
 O    1.879900     -0.1189000       1.209400    
 O    1.865500       2.620100     -0.5874000    
 O    2.640400     -0.7138000      -1.639300    
 O    5.284200     -0.9322000      0.1944000    
 O   -4.508300      -1.591700     -0.4040000    
 N  -0.2899000     -9.2399999E-02  0.2546000    
 N   -2.073400       1.554300      0.4342000    
 N   -1.576700      -1.871400     -0.2113000    
 N   -4.283600      0.6687000      6.8899997E-02
 C    1.583500       1.232300     -0.7522000    
 C   0.9163000      0.6950000      0.5171000    
 C    2.877600      0.4471000     -0.8534000    
 C    3.164900      9.2500001E-02  0.6013000    
 C    4.029800      -1.134100      0.8251000    
 C   -1.573900      0.3315000      0.2313000    
 C  -0.3410000      -1.440300     -2.0099999E-02
 C   -2.350900     -0.7564000     -5.2900001E-02
 C   -3.795600     -0.6283000     -0.1500000    
 C   -3.448900       1.638000      0.3344000    
 H   0.6246000       1.501100       1.200100    
 H   0.9451000       1.130100      -1.636700    
 H    3.696700       1.013500      -1.308200    
 H    3.620200      0.9610000       1.095200    
 H    3.560500      -2.041300      0.4299000    
 H    4.189700      -1.294300       1.897000    
 H    2.325400       2.920500      -1.389900    
 H   0.5466000      -2.056300     -7.0600003E-02
 H    3.493800      -1.162400      -1.764600    
 H   -1.509400       2.371600      0.6423000    
 H    5.818400      -1.727600      0.3601000    
 H   -3.823700       2.659200      0.5070000    


%chk=000000804-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000804

0 1
O 1.597065 1.262082 0.885119
O 2.468700 2.785723 -1.559220
O 3.014944 -0.836564 -1.470330
O 3.872801 -1.690770 0.904581
O -4.022221 -2.150576 0.010309
N -0.088125 0.341379 -0.599461
N -1.693722 1.105835 1.165393
N -1.255854 -1.501881 -1.305816
N -3.691194 -0.243768 1.366531
C 2.052577 1.385730 -1.465875
C 0.925013 1.393373 -0.417225
C 3.150953 0.475940 -0.847802
C 2.859369 0.487427 0.692728
C 2.667108 -0.917104 1.293432
C -1.258167 0.272861 0.150962
C -0.137588 -0.787772 -1.468486
C -1.984758 -0.848419 -0.287641
C -3.286410 -1.179335 0.314793
C -2.939777 0.769200 1.729010
H 0.427472 2.378381 -0.402333
H 1.743519 0.984124 -2.448327
H 4.158055 0.894364 -1.045109
H 3.639743 1.038419 1.242559
H 1.755692 -1.389621 0.881492
H 2.586846 -0.845914 2.393155
H 3.187626 2.870177 -2.234605
H 0.687131 -1.031358 -2.132684
H 3.514186 -1.487421 -0.891883
H -1.110268 1.844383 1.565188
H 3.918435 -2.539591 1.408131
H -3.271351 1.435794 2.535113