%chk=000072442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072442

0 1
 O    6.415300     -0.9656000      0.4131000    
 O   -2.771800      -2.745900     -0.2777000    
 O   -4.908800      -1.007100      9.0899996E-02
 O   -2.885000       3.473700      0.4591000    
 O  -0.7197000       3.174500      0.2573000    
 N    3.900800      7.5099997E-02 -0.4210000    
 N   0.3043000      0.9333000     -8.4799998E-02
 N   -1.890300       2.729000      0.2953000    
 C    4.002100     -0.9159000      0.6592000    
 C    5.125100      0.8860000     -0.4766000    
 C    2.724600      0.9230000     -0.2389000    
 C    5.243100      -1.780300      0.4550000    
 C    6.339100     -2.1000000E-02 -0.6551000    
 C    1.454800      8.2300000E-02 -0.2740000    
 C  -0.9994000      0.4655000     -3.8400002E-02
 C   -2.097700       1.328700      0.1480000    
 C   -1.256100     -0.9119000     -0.1801000    
 C   -2.559200      -1.407700     -0.1372000    
 C   -3.400800      0.8331000      0.1908000    
 C   -3.631600     -0.5351000      4.8099998E-02
 C   -2.775600      -3.530100      0.9137000    
 C   -5.613300      -1.083500      -1.146900    
 H    4.057500     -0.4174000       1.635600    
 H    3.159700      -1.611700      0.6708000    
 H    5.237900       1.468400      0.4472000    
 H    5.079500       1.587600      -1.317300    
 H    2.676300       1.664500      -1.047200    
 H    2.781100       1.485200      0.7033000    
 H    5.177100      -2.373700     -0.4653000    
 H    5.354000      -2.478100       1.291200    
 H    6.309200     -0.5537000      -1.613600    
 H    7.256400      0.5762000     -0.6370000    
 H    1.444100     -0.6507000      0.5362000    
 H    1.387100     -0.4445000      -1.233800    
 H   0.4731000       1.925800      8.1000002E-03
 H  -0.4507000      -1.626600     -0.3296000    
 H   -4.258900       1.485600      0.3347000    
 H   -3.569000      -3.198500       1.590900    
 H   -2.963600      -4.571200      0.6379000    
 H   -1.804200      -3.470500       1.414800    
 H   -5.098900      -1.754100      -1.842400    
 H   -6.611300      -1.483900     -0.9487000    
 H   -5.717000     -8.8500001E-02  -1.591000    


%chk=000072442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072442

0 1
O 6.743733 -0.819678 0.120899
O -2.750926 -2.775749 -0.393815
O -5.017639 -0.956490 0.041135
O -2.938808 3.469917 0.900679
O -0.677912 3.228546 0.715814
N 4.001543 0.059661 -0.275452
N 0.347126 0.888067 0.141569
N -1.900252 2.728689 0.683156
C 4.432077 -0.586287 0.994059
C 5.143472 0.790016 -0.888427
C 2.793629 0.897984 -0.122229
C 5.610139 -1.537076 0.725542
C 6.310871 -0.180359 -1.133097
C 1.512710 0.036637 -0.112327
C -0.950538 0.441970 0.136899
C -2.074308 1.321014 0.394790
C -1.256603 -0.935104 -0.104793
C -2.572235 -1.413566 -0.113778
C -3.407432 0.831834 0.352148
C -3.674741 -0.509294 0.085504
C -3.572925 -3.552414 0.570586
C -5.496515 -1.267035 -1.327701
H 4.742451 0.178907 1.749396
H 3.591900 -1.163761 1.422030
H 5.496200 1.626933 -0.235504
H 4.817920 1.220999 -1.853961
H 2.741535 1.595028 -0.979612
H 2.827577 1.524696 0.805215
H 5.279768 -2.355587 0.050225
H 5.998423 -1.963479 1.665080
H 5.998750 -0.958658 -1.862433
H 7.197477 0.352509 -1.514153
H 1.590132 -0.752051 0.665084
H 1.423345 -0.477478 -1.089434
H 0.451120 1.894473 0.359238
H -0.456228 -1.659396 -0.270936
H -4.229694 1.531404 0.521745
H -4.549657 -3.069301 0.739351
H -3.694921 -4.543313 0.108943
H -3.024824 -3.645383 1.526338
H -4.879497 -2.059104 -1.791781
H -6.534415 -1.611930 -1.206038
H -5.472529 -0.356493 -1.955352


