%chk=000047695.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047695

0 1
 O  -0.9151000      -1.985300      0.2011000    
 N    3.262600     -0.3346000      0.1908000    
 N  -0.3279000      4.4599999E-02 -0.7360000    
 N   -2.438000       1.942600      0.5127000    
 C    3.877800      0.3385000     -0.9617000    
 C    4.004200     -5.3800002E-02   1.428200    
 C    5.328200     -0.1080000      -1.151700    
 C    5.458700     -0.5134000       1.316200    
 C    6.148700      0.1188000      0.1129000    
 C    1.863100      6.7199998E-02  0.3306000    
 C    1.069000     -0.3385000     -0.9043000    
 C  -0.6704000       1.413700      -1.092800    
 C   -1.055700       2.168700      0.1629000    
 C   -1.234300     -0.8559000     -0.1781000    
 C   -2.672300     -0.4803000     -3.8199998E-02
 C   -3.170000      0.7839000      0.3319000    
 C   -3.568500      -1.554700     -0.2372000    
 C   -4.571400      0.9057000      0.4927000    
 C   -4.942400      -1.396500     -7.5400002E-02
 C   -5.446300     -0.1624000      0.2953000    
 H    3.838200       1.429900     -0.8479000    
 H    3.380300      8.5500002E-02  -1.901100    
 H    3.542700     -0.5876000       2.267800    
 H    3.974500       1.017600       1.667000    
 H    5.779000      0.4406000      -1.986400    
 H    5.354100      -1.172700      -1.417500    
 H    5.492600      -1.606400       1.224400    
 H    6.000900     -0.2528000       2.232200    
 H    7.152800     -0.3018000     -9.3000000E-03
 H    6.268200       1.195700      0.2834000    
 H    1.787300       1.148900      0.4995000    
 H    1.424100     -0.4224000       1.209600    
 H    1.127400      -1.425300      -1.040700    
 H    1.407200      0.1209000      -1.836100    
 H   -1.476500       1.396500      -1.835300    
 H   0.1961000       1.896300      -1.558600    
 H  -0.4171000       1.908500       1.014000    
 H  -0.9299000       3.242900     -1.4100000E-02
 H   -2.931300       2.737100      0.9076000    
 H   -3.204900      -2.539000     -0.5272000    
 H   -5.000700       1.867700      0.7726000    
 H   -5.611300      -2.236400     -0.2357000    
 H   -6.514900     -2.3100000E-02  0.4268000    


%chk=000047695-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047695

0 1
O -0.774060 -1.864869 0.360268
N 3.334941 -0.229797 0.095177
N -0.362801 0.082433 -0.810570
N -2.679056 2.115173 0.053247
C 4.063370 0.781209 -0.709946
C 4.040900 -0.525092 1.368644
C 5.494056 0.308665 -1.041635
C 5.469679 -1.041166 1.101316
C 6.269694 -0.026031 0.252948
C 1.906916 0.104899 0.283856
C 1.055404 -0.332500 -0.935491
C -0.774023 1.378710 -1.367003
C -1.279553 2.359265 -0.281461
C -1.221444 -0.758297 -0.100903
C -2.685211 -0.415075 0.068758
C -3.317594 0.876027 0.154391
C -3.506490 -1.571287 0.241533
C -4.732018 0.928560 0.388849
C -4.889846 -1.504058 0.459417
C -5.505811 -0.228639 0.534437
H 4.118924 1.761585 -0.161692
H 3.503780 0.964816 -1.646236
H 3.458006 -1.287254 1.917310
H 4.100944 0.387195 2.021479
H 6.017318 1.094890 -1.619772
H 5.430961 -0.594356 -1.678919
H 5.402836 -2.004557 0.559858
H 5.977851 -1.231802 2.066285
H 7.273150 -0.425251 0.012388
H 6.422368 0.903843 0.839906
H 1.757719 1.199121 0.479358
H 1.522972 -0.440457 1.164266
H 1.094542 -1.431071 -1.003965
H 1.459831 0.093873 -1.871634
H -1.563490 1.254133 -2.134077
H 0.107926 1.818813 -1.861964
H -0.611409 2.271666 0.601616
H -1.203549 3.397897 -0.655644
H -3.272164 2.931703 0.194241
H -2.991946 -2.536884 0.214881
H -5.212110 1.914183 0.456935
H -5.478633 -2.419174 0.574536
H -6.584082 -0.140142 0.709914


