%chk=000023117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023117

0 1
 O   0.2086000     -0.2825000      -1.233900    
 O   -1.295100      -4.050600     -0.9678000    
 O   0.3204000      -2.706300      -1.601500    
 O   -5.401300     -0.1599000       1.581400    
 O   -5.209600      -2.314600       1.208300    
 O    3.942000      0.3395000      -2.753100    
 O    1.776100      0.1927000      -3.080500    
 O    4.476800     -0.6883000       3.345100    
 O    5.794300     -0.2635000       1.641300    
 N  -0.7970000      -2.904700      -1.069000    
 N   -4.763100      -1.144200       1.136500    
 N    2.777400      0.1543000      -2.326900    
 N    4.652600     -0.4561000       2.124600    
 C   -1.192700       1.992000     -0.2423000    
 C  -0.9648000       2.607000       1.149700    
 C   -2.089600       2.897500      -1.104500    
 C  -0.4079000       4.026100       1.048700    
 C   -1.528100       4.315400      -1.196000    
 C   -1.294800       4.919000      0.1859000    
 C   -1.736600      0.5778000     -0.1523000    
 C   -1.008000     -0.4995000     -0.6543000    
 C   -2.980200      0.3656000      0.4410000    
 C   -1.524400      -1.792100     -0.5630000    
 C   -3.496400     -0.9268000      0.5323000    
 C   -2.768600      -2.005700      3.0400001E-02
 C    1.322900     -0.3207000     -0.4157000    
 C    2.586000     -0.1087000     -0.9425000    
 C    1.136800     -0.5769000      0.9332000    
 C    3.694600     -0.1538000     -9.7000003E-02
 C    2.245400     -0.6217000       1.778500    
 C    3.524200     -0.4103000       1.263500    
 H  -0.2160000       1.981400     -0.7406000    
 H  -0.2700000       1.988900       1.730200    
 H   -1.901400       2.640100       1.720200    
 H   -3.105000       2.949700     -0.6925000    
 H   -2.184100       2.479800      -2.114700    
 H   0.6022000       3.991900      0.6221000    
 H  -0.3158000       4.457500       2.051800    
 H   -2.219400       4.949100      -1.762900    
 H  -0.5824000       4.298400      -1.751800    
 H   -2.259700       5.067200      0.6864000    
 H  -0.8331000       5.907400      8.2900003E-02
 H   -3.538300       1.213800      0.8286000    
 H   -3.173800      -3.012300      0.1033000    
 H   0.1793000     -0.7519000       1.409800    
 H    4.692900      1.0800000E-02 -0.4958000    
 H    2.075800     -0.8239000       2.833100    


%chk=000023117-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023117

0 1
O 0.205341 -0.520144 -1.002929
O -1.682186 -4.098083 -1.367999
O 0.268790 -3.230102 -0.558113
O -5.750025 0.047389 1.209669
O -5.674322 -2.204670 0.844988
O 3.536192 0.407871 -2.958895
O 1.487468 1.341211 -2.575527
O 5.052598 -0.650429 3.158392
O 6.103435 0.166389 1.301804
N -0.992210 -3.161618 -0.818399
N -5.144803 -1.030681 0.845043
N 2.505714 0.633260 -2.221140
N 5.060166 -0.259905 1.928432
C -1.164245 1.903941 -0.158321
C -1.068915 2.605740 1.229813
C -1.950966 2.797557 -1.166290
C -0.417210 4.002318 1.097448
C -1.292884 4.190724 -1.292535
C -1.175954 4.889647 0.082506
C -1.787737 0.519500 -0.053782
C -1.079452 -0.655536 -0.428390
C -3.125475 0.361875 0.382956
C -1.715512 -1.926242 -0.419721
C -3.730284 -0.908488 0.391483
C -3.055782 -2.068285 -0.025375
C 1.348138 -0.404229 -0.214583
C 2.526384 0.090274 -0.839584
C 1.404072 -0.823391 1.135296
C 3.752922 0.115804 -0.155629
C 2.614264 -0.765394 1.843691
C 3.776979 -0.304094 1.186342
H -0.141360 1.806273 -0.565989
H -0.488055 1.977069 1.933352
H -2.085371 2.715107 1.661155
H -2.999053 2.915907 -0.821023
H -1.985407 2.300552 -2.153950
H 0.634227 3.883986 0.763312
H -0.384786 4.492421 2.089129
H -1.880791 4.814912 -1.991885
H -0.283759 4.075761 -1.737679
H -2.192089 5.106229 0.472740
H -0.662133 5.863259 -0.027792
H -3.716236 1.225986 0.699250
H -3.550795 -3.042530 -0.039626
H 0.507274 -1.225169 1.613305
H 4.663155 0.465551 -0.649981
H 2.681781 -1.089623 2.885231


