%chk=000067588.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067588

0 1
 O    2.165800     -0.4485000     -0.4461000    
 O    3.740400       1.866000     -3.3000000E-03
 N  -0.6332000      0.2444000      0.1541000    
 N   -2.004200      0.3299000     -0.2613000    
 C   0.1881000      0.8947000     -0.8575000    
 C   -2.823400     -0.3421000      0.7388000    
 C    1.641100      0.8348000     -0.5237000    
 C   -4.288500     -0.2805000      0.3973000    
 C    3.503500     -0.5364000     -0.1399000    
 C    4.280400      0.6047000      7.8299999E-02
 C    2.400500       1.918000     -0.3111000    
 C   -5.052900      0.7832000      0.8560000    
 C   -4.853900      -1.287900     -0.3720000    
 C    4.075300      -1.803300     -5.0400000E-02
 C    5.633400      0.4857000      0.3874000    
 C    5.430700      -1.923900      0.2584000    
 C    6.207300     -0.7830000      0.4768000    
 C   -6.410100      0.8406000      0.5395000    
 C   -6.211200      -1.230400     -0.6885000    
 C   -6.989200     -0.1661000     -0.2327000    
 H   4.1900001E-02  0.4155000      -1.835100    
 H  -0.1204000       1.942800     -0.9696000    
 H   -2.669900      0.1037000       1.731500    
 H   -2.529100      -1.396700      0.8327000    
 H  -0.3680000     -0.7396000      0.2113000    
 H   -2.274800       1.312800     -0.3072000    
 H    2.050400       2.939100     -0.3568000    
 H   -4.611400       1.573500       1.456600    
 H   -4.256800      -2.120300     -0.7336000    
 H    3.477800      -2.694600     -0.2187000    
 H    6.243000       1.368200      0.5584000    
 H    5.884200      -2.908500      0.3298000    
 H    7.261900     -0.8846000      0.7171000    
 H   -7.015900       1.669500      0.8939000    
 H   -6.662200      -2.013800      -1.290400    
 H   -8.046000     -0.1213000     -0.4795000    


%chk=000067588-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067588

0 1
O 1.932157 -0.371888 0.001048
O 3.901409 1.299122 -1.363286
N -0.584229 1.180745 0.130377
N -2.015905 1.077592 0.034989
C 0.084383 0.734523 -1.124130
C -2.602104 -0.220128 0.473435
C 1.569332 0.655539 -0.937708
C -4.112237 -0.240229 0.276418
C 3.330652 -0.507104 0.242687
C 4.286190 0.301855 -0.422456
C 2.496990 1.426739 -1.552499
C -4.966008 -0.749847 1.286089
C -4.685952 0.239762 -0.929491
C 3.747401 -1.479798 1.163999
C 5.655895 0.137904 -0.164133
C 5.128769 -1.649253 1.427518
C 6.080235 -0.842708 0.765188
C -6.365962 -0.796783 1.091411
C -6.084085 0.198854 -1.123544
C -6.929385 -0.322949 -0.115424
H -0.283029 -0.264272 -1.461761
H -0.151925 1.459536 -1.920725
H -2.362977 -0.459001 1.539153
H -2.130059 -1.013392 -0.141023
H -0.194611 0.681222 0.951587
H -2.452396 1.882828 0.501951
H 2.253575 2.222599 -2.253368
H -4.534552 -1.113445 2.227275
H -4.024048 0.651468 -1.698923
H 2.989931 -2.092495 1.662238
H 6.370039 0.777107 -0.691833
H 5.452104 -2.408401 2.146672
H 7.148674 -0.970357 0.965568
H -7.013851 -1.196373 1.879897
H -6.515614 0.572148 -2.059455
H -8.014206 -0.355520 -0.267243


