%chk=000040145.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040145

0 1
 O  -6.4700000E-02  -1.189700      -1.710400    
 N  -0.5858000      0.9093000     -0.8741000    
 N   -4.449200      0.7769000       1.402500    
 C    1.589900     -9.8300003E-02 -0.4576000    
 C    3.438400       1.223900      0.3620000    
 C    3.532800      -1.187400      0.4783000    
 C    2.269000      -1.265100     -0.1070000    
 C    2.174700       1.146200     -0.2232000    
 C   -1.932400      0.9681000      -1.395800    
 C    4.117500      5.7100002E-02  0.7128000    
 C   0.2718000     -0.1796000      -1.067700    
 C   -2.934400      0.4062000     -0.4292000    
 C    4.063800       2.554500      0.6128000    
 C    4.259200      -2.435000      0.8530000    
 C   -3.263200     -0.9371000     -0.4600000    
 C   -3.541100       1.219200      0.5041000    
 C   -4.193600      -1.429600      0.4484000    
 C   -4.752600     -0.5395000       1.351200    
 H    1.817500      -2.239300     -0.2803000    
 H    1.684300       2.071900     -0.5119000    
 H   -1.978200      0.4287000      -2.349300    
 H   -2.155600       2.018900      -1.613100    
 H    5.101100      0.1170000       1.172600    
 H  -0.3028000       1.679700     -0.2780000    
 H    5.154800       2.479000      0.6713000    
 H    3.834500       3.253700     -0.1986000    
 H    3.693500       2.972000       1.554400    
 H    5.344000      -2.292300      0.8024000    
 H    3.992400      -2.733200       1.871700    
 H    4.012500      -3.255400      0.1704000    
 H   -2.811300      -1.611700      -1.180700    
 H   -3.316100       2.278900      0.5703000    
 H   -4.472700      -2.477000      0.4494000    
 H   -5.483400     -0.8736000       2.080300    


%chk=000040145-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040145

0 1
O -0.023994 -1.230540 -1.833572
N -0.605993 0.802970 -0.869196
N -5.133537 1.000918 0.686971
C 1.651624 -0.098969 -0.474028
C 3.474713 1.203987 0.550983
C 3.699923 -1.248062 0.264554
C 2.416577 -1.280628 -0.329820
C 2.190981 1.140551 -0.040738
C -1.954432 0.811866 -1.463821
C 4.210399 0.000476 0.699926
C 0.293965 -0.227647 -1.114948
C -3.050872 0.415352 -0.483246
C 4.063369 2.529127 1.005066
C 4.504723 -2.523094 0.447752
C -3.046581 -0.855983 0.147319
C -4.116558 1.297049 -0.177198
C -4.088104 -1.182121 1.041009
C -5.105868 -0.227627 1.281626
H 1.989653 -2.219039 -0.700636
H 1.641672 2.077191 -0.200643
H -1.917208 0.091702 -2.301460
H -2.163943 1.815800 -1.878732
H 5.209706 0.040065 1.154074
H -0.381302 1.509425 -0.167638
H 5.029164 2.732465 0.506068
H 3.386620 3.371983 0.782328
H 4.254348 2.530561 2.094748
H 5.588394 -2.337685 0.342258
H 4.341941 -2.953692 1.454922
H 4.214646 -3.291674 -0.289105
H -2.243508 -1.568458 -0.072436
H -4.166241 2.290009 -0.643909
H -4.119539 -2.155143 1.541522
H -5.930138 -0.443735 1.971003


