%chk=000226632.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226632

0 1
 O   0.9225000      -1.621900     -0.2311000    
 N  -0.6523000      9.1700003E-02 -0.5611000    
 N    2.845400     -3.1500001E-02  -1.369300    
 N    1.537000      0.3777000      -1.216200    
 C   -3.043100      0.2657000     -5.2700002E-02
 C   -1.835500     -0.4514000     -4.5899998E-02
 C   -4.207400     -0.3349000      0.4828000    
 C   -3.120800       1.565400     -0.5790000    
 C   -1.776500      -1.741700      0.4814000    
 C   -4.129800      -1.634800       1.008900    
 C   -5.415000      0.3819000      0.4760000    
 C   -2.921500      -2.332400       1.007500    
 C    3.745800      0.2368000     -0.3291000    
 C   -4.329000       2.263000     -0.5773000    
 C   -5.473900       1.672400     -5.0700001E-02
 C   0.6227000     -0.4972000     -0.6255000    
 C    3.099500      -1.001800      -2.418100    
 C    4.966700     -0.4434000     -0.2587000    
 C    3.432000       1.187200      0.6488000    
 C    5.862400     -0.1766000      0.7769000    
 C    4.327800       1.453900       1.684200    
 C    5.543000      0.7719000       1.748200    
 H  -0.8941000      -2.360500      0.5272000    
 H   -2.268400       2.084800      -1.004700    
 H   -5.012200      -2.116100       1.425500    
 H  -0.6929000       1.029400     -0.9423000    
 H   -6.322400     -6.0100000E-02  0.8823000    
 H   -2.877100      -3.337100       1.418200    
 H   -4.376500       3.267800     -0.9872000    
 H   -6.414200       2.216000     -4.9699999E-02
 H    1.307200       1.298200      -1.573500    
 H    4.033200     -0.7755000      -2.944400    
 H    3.153700      -2.017600      -2.011700    
 H    2.303700     -0.9870000      -3.172400    
 H    5.252500      -1.191600     -0.9923000    
 H    2.501600       1.748600      0.6301000    
 H    6.808500     -0.7078000      0.8277000    
 H    4.080800       2.194400       2.439500    
 H    6.240600      0.9799000       2.554200    


%chk=000226632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226632

0 1
O 0.955096 -1.652442 -0.232802
N -0.644582 0.085545 -0.486172
N 2.881754 0.008639 -1.418182
N 1.545783 0.373354 -1.247960
C -3.058204 0.263199 -0.048831
C -1.829430 -0.508049 0.028425
C -4.272559 -0.319579 0.490119
C -3.142324 1.573255 -0.631458
C -1.834060 -1.790758 0.600721
C -4.241254 -1.630352 1.067907
C -5.494539 0.429936 0.431663
C -3.043710 -2.343280 1.113519
C 3.783827 0.234774 -0.342267
C -4.347847 2.279144 -0.674788
C -5.539136 1.703963 -0.135127
C 0.627378 -0.495466 -0.611170
C 3.164010 -1.007414 -2.450138
C 5.097262 -0.315079 -0.380126
C 3.414398 1.048966 0.766162
C 6.010866 -0.043614 0.660297
C 4.338236 1.308312 1.797980
C 5.645931 0.770322 1.756057
H -0.901268 -2.354767 0.648942
H -2.262094 2.058491 -1.072903
H -5.167063 -2.057519 1.469169
H -0.735850 1.054139 -0.793878
H -6.402952 -0.024384 0.844934
H -3.015095 -3.345732 1.553935
H -4.381527 3.276025 -1.127442
H -6.479822 2.263524 -0.171933
H 1.261821 1.278645 -1.632965
H 4.091126 -0.754793 -2.996890
H 3.256084 -2.021545 -2.015138
H 2.329686 -1.008591 -3.168094
H 5.407020 -0.959413 -1.207320
H 2.402720 1.461178 0.823518
H 7.015509 -0.479729 0.612668
H 4.029782 1.932638 2.644647
H 6.359028 0.974258 2.561419


