%chk=000081657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081657

0 1
 O    2.100800      0.6913000      0.5167000    
 O   -4.098200      0.6882000     -0.4605000    
 O   -3.768100      -1.449000     -8.3200000E-02
 N   -3.339500     -0.2749000     -0.1940000    
 C    4.322900      0.2456000     -0.2682000    
 C    2.998300     -0.3617000      0.1680000    
 C   0.7716000      0.4552000      0.3429000    
 C    5.327300     -0.8194000     -0.6702000    
 C  -9.1200002E-02   1.510300      4.6300001E-02
 C   0.2722000     -0.8417000      0.4619000    
 C   -1.952800     -2.8600000E-02 -1.2500000E-02
 C   -1.453300       1.268500     -0.1312000    
 C   -1.089900      -1.083700      0.2841000    
 H    4.154800      0.9331000      -1.106000    
 H    4.732800      0.8565000      0.5450000    
 H    2.611200     -0.9607000     -0.6667000    
 H    3.148500      -1.006800       1.041500    
 H    4.954600      -1.414000      -1.510500    
 H    6.270400     -0.3553000     -0.9752000    
 H    5.536200      -1.496500      0.1642000    
 H   0.2927000       2.522600     -4.7499999E-02
 H   0.9048000      -1.686100      0.7190000    
 H   -2.095700       2.114700     -0.3614000    
 H   -1.444900      -2.105700      0.3901000    


%chk=000081657-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081657

0 1
O 2.065671 0.710594 -0.197624
O -4.274046 0.827125 0.207623
O -3.938769 -1.426965 0.343213
N -3.504182 -0.212907 0.229636
C 4.439046 0.247416 -0.309900
C 3.057127 -0.393697 -0.175830
C 0.715979 0.398577 -0.088089
C 5.561488 -0.812942 -0.278973
C -0.167735 1.513476 -0.112819
C 0.201649 -0.921076 0.042092
C -2.051281 -0.001771 0.120386
C -1.550273 1.317953 -0.008643
C -1.187276 -1.117955 0.146129
H 4.478495 0.819431 -1.255229
H 4.576019 0.974108 0.512122
H 2.851025 -1.085033 -1.018266
H 2.963644 -0.948594 0.779929
H 5.457433 -1.538776 -1.107144
H 6.550242 -0.332442 -0.378275
H 5.558047 -1.379078 0.671240
H 0.260168 2.514781 -0.213780
H 0.867156 -1.787720 0.062870
H -2.250375 2.156955 -0.024645
H -1.613752 -2.119561 0.246576


