%chk=000094578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094578

0 1
 O  -0.8430000      -1.398100     -0.9091000    
 O    5.246100      0.9397000     -0.1436000    
 O   -1.400100     -0.4847000       1.129900    
 O    3.117400       1.200300     -0.9378000    
 N   -2.890200     -0.1982000     -0.6814000    
 N    3.780400     -0.7343000      0.2105000    
 C   -3.066700     -0.5118000      -2.131800    
 C   -3.914700      0.4645000     -4.6000001E-03
 C    5.445100       2.353200     -2.5500000E-02
 C   -1.680400     -0.6677000     -5.3100001E-02
 C   -2.487800      0.5784000      -3.009800    
 C   -4.151900      0.1903000       1.342400    
 C   -4.701300       1.401700     -0.6745000    
 C   0.3367000      -1.862200     -0.3164000    
 C    2.630300      -1.523800      0.2337000    
 C    1.454700      -1.060900     -0.3575000    
 C   0.3298000      -3.100900      0.2830000    
 C   -5.175700      0.8529000       2.019300    
 C   -5.725000       2.064500      2.7000001E-03
 C    2.655500      -2.775200      0.8494000    
 C    6.927600       2.636200      0.1644000    
 C    4.614400       2.880500       1.134500    
 C    1.505300      -3.563700      0.8741000    
 C   -5.962200       1.790100       1.349600    
 C    3.955800      0.5293000     -0.3484000    
 H   -2.597700      -1.472000      -2.370300    
 H   -4.135300     -0.6460000      -2.339000    
 H    5.126900       2.833200     -0.9593000    
 H   -2.848100       1.582500      -2.783000    
 H   -1.397400      0.6093000      -2.903900    
 H   -2.709200      0.3694000      -4.061300    
 H   -3.601200     -0.5662000       1.891700    
 H   -4.578000       1.647000      -1.720700    
 H    1.360300     -0.1048000     -0.8522000    
 H    7.305600       2.147100       1.069000    
 H    7.503100       2.231600     -0.6751000    
 H    7.123400       3.710200      0.2376000    
 H    4.824300       2.319300       2.052100    
 H    3.539100       2.797200      0.9516000    
 H    4.830600       3.937900       1.319700    
 H  -0.5656000      -3.714100      0.3014000    
 H    3.564600      -3.148300       1.314300    
 H   -5.368800      0.6310000       3.064900    
 H   -6.340900       2.791300     -0.5191000    
 H    4.600800      -1.132400      0.6612000    
 H    1.524800      -4.538100       1.353500    
 H   -6.761700       2.303400       1.875700    


%chk=000094578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094578

0 1
O -0.918235 -0.614467 -0.113641
O 5.577669 0.751777 -0.073183
O -2.575377 -1.415930 1.370556
O 3.379389 1.363109 -0.683030
N -3.099454 -0.020516 -0.477580
N 3.884656 -0.601189 0.548241
C -2.529723 0.761384 -1.619515
C -4.524347 0.035619 -0.237184
C 6.109491 2.008003 -0.709616
C -2.255536 -0.748450 0.358388
C -1.939856 2.124925 -1.206001
C -5.221231 -1.026480 0.402069
C -5.262350 1.164101 -0.689126
C 0.189767 -1.267903 0.501530
C 2.608866 -1.191988 0.749852
C 1.414956 -0.614361 0.256218
C 0.109091 -2.482093 1.218996
C -6.618722 -0.950683 0.576920
C -6.660875 1.224621 -0.511858
C 2.556734 -2.411645 1.478086
C 7.552563 1.680274 -1.099568
C 5.979321 3.168274 0.287319
C 1.315847 -3.036958 1.702687
C -7.351741 0.168890 0.122257
C 4.183394 0.577054 -0.119634
H -1.743631 0.150636 -2.089416
H -3.339188 0.886702 -2.358112
H 5.485696 2.204794 -1.601538
H -2.689001 2.767036 -0.710527
H -1.092705 1.984424 -0.514508
H -1.565095 2.656121 -2.100135
H -4.672673 -1.892390 0.773650
H -4.754741 2.008825 -1.162518
H 1.438813 0.318674 -0.309038
H 8.154426 1.441664 -0.204865
H 7.588151 0.817466 -1.786279
H 8.010752 2.549350 -1.605231
H 6.541615 2.949681 1.212497
H 4.921274 3.347581 0.541892
H 6.387315 4.094569 -0.157315
H -0.851133 -2.958446 1.413815
H 3.479298 -2.862242 1.863439
H -7.136085 -1.780680 1.071087
H -7.206292 2.106985 -0.864962
H 4.694136 -1.090614 0.935612
H 1.281224 -3.975506 2.266002
H -8.436754 0.218599 0.262068


