%chk=000050584.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050584

0 1
 O   0.2704000      -1.528600     -4.5699999E-02
 O  -0.9335000       2.874800      0.8602000    
 O    3.886600      -1.055300       1.866900    
 O    2.003100      0.6453000      -1.994700    
 N    2.664000     -8.4500000E-02  0.1255000    
 N  -0.7547000      0.5725000      0.3299000    
 C    1.505800      0.3280000      0.8604000    
 C    1.197700       1.802300      0.7172000    
 C   0.2794000     -0.3597000      0.3173000    
 C  -0.3024000       1.847500      0.6505000    
 C    4.743000      -1.004000     -0.3834000    
 C    4.125800     -0.4422000      -1.653400    
 C    3.735800     -0.7325000      0.6966000    
 C    2.797800      0.1155000      -1.230200    
 C   -2.121200      0.2564000      3.7799999E-02
 C   -2.626300      -1.011500      0.3334000    
 C   -2.952500       1.216200     -0.5431000    
 C   -3.956800      -1.318400      4.8799999E-02
 C   -4.283100      0.9094000     -0.8273000    
 C   -4.785400     -0.3579000     -0.5316000    
 C   -4.493500      -2.673300      0.3649000    
 H    1.601800      5.3300001E-02   1.917800    
 H    1.604600       2.281400     -0.1770000    
 H    1.548700       2.358000       1.592700    
 H    5.686200     -0.5047000     -0.1434000    
 H    4.914100      -2.081300     -0.4663000    
 H    3.976300      -1.223900      -2.403900    
 H    4.742700      0.3552000      -2.078200    
 H   -2.009700      -1.766700      0.8126000    
 H   -2.589100       2.201900     -0.8171000    
 H   -4.926400       1.654500      -1.286400    
 H   -5.823000     -0.5848000     -0.7618000    
 H   -4.092500      -3.039800       1.316000    
 H   -5.584500      -2.659700      0.4610000    
 H   -4.224200      -3.378400     -0.4279000    


%chk=000050584-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050584

0 1
O 0.213691 -1.531458 -0.172178
O -1.070005 2.863295 0.945248
O 3.865533 -1.093389 1.871020
O 2.080756 0.838046 -2.002352
N 2.739294 -0.035115 0.086091
N -0.788543 0.573623 0.342461
C 1.540350 0.324510 0.838343
C 1.185473 1.824895 0.889364
C 0.278565 -0.360126 0.255516
C -0.335510 1.872133 0.751956
C 4.834271 -1.038379 -0.440210
C 4.239464 -0.407636 -1.723300
C 3.812778 -0.765088 0.664580
C 2.907466 0.212128 -1.297800
C -2.161372 0.258503 0.018902
C -2.699555 -0.987131 0.415621
C -2.951400 1.197005 -0.685488
C -4.039379 -1.322291 0.104700
C -4.290286 0.870209 -0.982315
C -4.830949 -0.375517 -0.593380
C -4.602962 -2.676848 0.496550
H 1.701321 -0.081304 1.856976
H 1.619554 2.367254 0.031345
H 1.501951 2.327202 1.816145
H 5.806213 -0.604435 -0.149678
H 4.981270 -2.128804 -0.522173
H 4.043802 -1.148346 -2.517243
H 4.880788 0.375055 -2.162851
H -2.072864 -1.705559 0.952490
H -2.534134 2.161892 -0.981178
H -4.913170 1.592188 -1.520992
H -5.873353 -0.616452 -0.832824
H -4.238794 -2.997198 1.488795
H -5.706088 -2.662263 0.525273
H -4.299174 -3.455596 -0.229314


