%chk=000036889.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036889

0 1
 O    1.579200     -0.3971000      0.1187000    
 N  -0.6490000     -0.9035000      0.4634000    
 N   -2.331400      -1.886200     -0.6061000    
 N    6.140300      0.8028000     -0.9847000    
 C   -1.587700      7.8599997E-02  0.2772000    
 C   0.6322000     -0.7591000       1.114300    
 C    2.872000     -0.2049000      0.6764000    
 C    3.836600      0.1794000     -0.4374000    
 C   -2.628100     -0.5597000     -0.3924000    
 C   -1.139000      -2.057800     -8.0899999E-02
 C   -1.615400       1.429300      0.6265000    
 C    5.244700      0.4164000      9.8700002E-02
 C   -3.771700      0.1780000     -0.7425000    
 C   -2.761400       2.148100      0.2705000    
 C   -3.821400       1.535500     -0.4018000    
 H   0.5544000      9.8000001E-03   1.889800    
 H   0.8969000      -1.719100       1.571100    
 H    3.462500       1.079200     -0.9432000    
 H    3.842100     -0.6113000      -1.198800    
 H    2.830500      0.5911000       1.429100    
 H    3.204200      -1.131500       1.159200    
 H  -0.5863000      -2.987300     -6.7000002E-02
 H    5.625500     -0.4918000      0.5787000    
 H    5.232700       1.211800      0.8515000    
 H  -0.7937000       1.908900       1.145900    
 H   -4.600700     -0.2887000      -1.264900    
 H   -2.827100       3.203900      0.5216000    
 H   -4.698800       2.120500     -0.6654000    
 H    6.181800      5.7300001E-02  -1.678600    
 H    7.086500      0.9068000     -0.6204000    


%chk=000036889-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036889

0 1
O 1.566866 -0.448443 0.167939
N -0.700286 -1.023081 0.554165
N -2.522358 -1.969545 -0.473587
N 6.103803 0.959371 -1.011333
C -1.583080 0.041708 0.279903
C 0.604013 -0.930457 1.164008
C 2.912952 -0.271564 0.743300
C 3.816682 0.264489 -0.369732
C -2.718511 -0.568085 -0.352826
C -1.319913 -2.189642 0.066031
C -1.501017 1.429059 0.513684
C 5.281620 0.424231 0.090098
C -3.816197 0.226803 -0.752623
C -2.608354 2.205314 0.109931
C -3.747988 1.614622 -0.511732
H 0.567202 -0.228041 2.025419
H 0.898018 -1.935712 1.534524
H 3.440952 1.241379 -0.721047
H 3.765608 -0.432963 -1.229075
H 2.870113 0.442307 1.597591
H 3.290316 -1.246798 1.128210
H -0.836610 -3.162966 0.141555
H 5.642262 -0.556596 0.492465
H 5.324872 1.147013 0.928566
H -0.618756 1.893839 0.965128
H -4.683850 -0.232950 -1.235351
H -2.588540 3.289268 0.268579
H -4.582907 2.256942 -0.812282
H 6.104741 0.374129 -1.852701
H 7.048747 1.245769 -0.740307


