%chk=000025602.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025602

0 1
 O    2.923600      0.6348000     -5.2200001E-02
 O    2.140700      -1.532900      4.7499999E-02
 O   -2.626400      0.1702000      -2.260300    
 O   -2.652800      -2.352200      5.9000000E-02
 O   -1.657200      0.4610000       2.307600    
 O   -1.923800       1.957000      -1.199700    
 O   -4.225900     -0.8229000      3.9900001E-02
 O   -2.996700       1.739800       1.135400    
 N   -2.169500      0.7432000      -1.261100    
 N   -3.037900      -1.173100      4.7800001E-02
 N   -2.243000      0.7645000       1.257600    
 C  -0.5490000     -0.6754000     -3.0000000E-03
 C   -1.969100     -7.5999998E-02  1.2600000E-02
 C    4.270300      0.1512000     -2.2100000E-02
 C   0.5977000      0.3466000     -6.0800001E-02
 C    1.952500     -0.3256000     -1.1300000E-02
 C    4.489300     -0.7539000      -1.233600    
 C    5.196200       1.364200     -8.3200000E-02
 C    4.481000     -0.6206000       1.279800    
 H  -0.4417000      -1.343400     -0.8703000    
 H  -0.3998000      -1.314800      0.8788000    
 H   0.5524000      0.9148000     -0.9955000    
 H   0.5361000       1.038600      0.7851000    
 H    4.072900     -0.3021000      -2.141500    
 H    5.560900     -0.9159000      -1.400900    
 H    4.052600      -1.751400      -1.140300    
 H    5.007000       2.039900      0.7589000    
 H    5.013900       1.946200     -0.9939000    
 H    6.251600       1.073500     -6.3500002E-02
 H    4.029800      -1.615700       1.296200    
 H    5.550800     -0.7770000       1.463100    
 H    4.071700     -6.7599997E-02   2.133300    


%chk=000025602-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025602

0 1
O 2.925620 0.544095 -0.055718
O 2.008826 -1.617647 0.056541
O -3.635362 0.468526 -1.777163
O -2.855507 -2.278786 -0.650455
O -1.661961 0.404046 2.271539
O -1.640115 1.581088 -1.753689
O -3.990603 -1.112102 0.957788
O -2.863212 1.910968 1.036398
N -2.475127 0.719913 -1.311511
N -3.053728 -1.273137 0.109788
N -2.196511 0.835529 1.192850
C -0.591038 -0.658141 -0.159636
C -2.001903 -0.096159 -0.053685
C 4.398107 0.097915 0.021158
C 0.556859 0.371314 -0.095478
C 1.893639 -0.369940 -0.023570
C 4.713985 -0.794363 -1.194415
C 5.136306 1.443872 -0.049737
C 4.633216 -0.615339 1.366123
H -0.533481 -1.249802 -1.089979
H -0.465210 -1.380538 0.667327
H 0.563950 1.045483 -0.966349
H 0.481222 1.013490 0.801705
H 4.450911 -0.277811 -2.134403
H 5.798236 -1.007771 -1.213897
H 4.169746 -1.750323 -1.143234
H 4.844508 2.093700 0.792900
H 4.903503 1.968734 -0.992029
H 6.226885 1.275185 -0.001880
H 4.071907 -1.561081 1.421058
H 5.710119 -0.839685 1.473053
H 4.334412 0.033770 2.207999


