%chk=000058715.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058715

0 1
 O   -4.239000       1.050700     -0.1657000    
 O   -2.233100      -1.693000      0.7335000    
 N    5.989300     -0.1889000      0.2206000    
 N  -0.3205000      0.2463000      0.4267000    
 N   -1.669900      0.4844000      0.2147000    
 N   -5.614800       1.167300     -0.3222000    
 C    1.890900      0.3522000     -0.5217000    
 C    4.613200     -7.1000000E-03 -2.8700000E-02
 C   0.4359000      0.5446000     -0.7863000    
 C    2.480400     -0.8931000     -0.7388000    
 C    2.662300       1.418000     -5.8200002E-02
 C    3.841500      -1.072700     -0.4923000    
 C    4.023500       1.238400      0.1883000    
 C    6.752400      -1.155500     -0.5436000    
 C    6.661700      0.5985000       1.235000    
 C   -2.568200     -0.5584000      0.3939000    
 C   -3.981000     -0.2140000      0.1755000    
 C   -5.082200     -0.9683000      0.2631000    
 C   -6.096800     -5.1100001E-02 -6.0899999E-02
 C   -7.545900     -0.2983000     -0.1330000    
 H   0.2525000       1.574400      -1.121000    
 H   0.1170000     -0.1101000      -1.607700    
 H    1.889500      -1.732400      -1.096100    
 H    2.215100       2.393600      0.1135000    
 H    4.266800      -2.058100     -0.6598000    
 H    4.597600       2.092000      0.5374000    
 H  -3.2400001E-02  0.8773000       1.174500    
 H    6.585500      -2.169100     -0.1643000    
 H    7.827200     -0.9525000     -0.4775000    
 H    6.491000      -1.122400      -1.607500    
 H    7.603700      0.1285000       1.539600    
 H    6.051100      0.6932000       2.140100    
 H    6.900000       1.597900      0.8560000    
 H   -1.963700       1.422000     -4.2399999E-02
 H   -5.170700      -2.014000      0.5176000    
 H   -7.785100      -1.339400      0.1070000    
 H   -8.083400      0.3406000      0.5753000    
 H   -7.924500     -9.1100000E-02  -1.139200    


%chk=000058715-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058715

0 1
O -4.393301 0.949756 0.454606
O -2.165798 -1.858177 -0.254500
N 6.079792 -0.254842 0.069797
N -0.343671 0.178648 0.636255
N -1.740123 0.320873 0.572146
N -5.857799 1.047909 0.316798
C 1.913236 0.701139 -0.185043
C 4.717560 0.059224 -0.011875
C 0.434689 1.029129 -0.303127
C 2.364797 -0.639737 -0.292192
C 2.883621 1.711090 0.017349
C 3.730360 -0.961656 -0.207242
C 4.257963 1.409807 0.099375
C 6.520854 -1.649131 -0.050207
C 7.067490 0.811617 0.266413
C -2.549810 -0.710905 0.103396
C -3.999595 -0.340521 0.062070
C -5.116743 -1.063659 -0.313531
C -6.237161 -0.173958 -0.141649
C -7.694134 -0.451707 -0.405274
H 0.277995 2.120954 -0.127726
H 0.055695 0.804156 -1.318618
H 1.624408 -1.435542 -0.433071
H 2.564233 2.757539 0.109133
H 4.030361 -2.009698 -0.295696
H 4.969738 2.225686 0.253067
H 0.012008 0.175150 1.600458
H 6.082937 -2.290480 0.742089
H 7.617220 -1.696040 0.045659
H 6.245972 -2.087472 -1.031793
H 8.077433 0.373623 0.307439
H 6.897475 1.362712 1.214600
H 7.050226 1.549859 -0.562082
H -2.189285 1.222920 0.792391
H -5.130858 -2.091686 -0.663951
H -7.831031 -1.485434 -0.760296
H -8.294456 -0.315742 0.510859
H -8.095400 0.234995 -1.170626


