%chk=000039825.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039825

0 1
 O   -2.970500      0.5238000      -1.459500    
 O   -3.368600       1.189300      0.8229000    
 O    1.433100       1.903400      0.2309000    
 N    5.164800     -0.7480000      0.3045000    
 N    1.525200     -0.3023000      0.9491000    
 C   -2.807600       1.560700     -0.4605000    
 C   -1.313200       1.822200     -0.2761000    
 C  -0.5985000      0.5866000      0.2544000    
 C   -3.520100       2.820000     -0.9520000    
 C    3.738200     -0.7579000      8.0000004E-03
 C   -3.623700     -0.4359000     -0.7473000    
 C   -3.850900     -5.6000002E-02  0.5556000    
 C    2.941000     -0.3265000       1.230200    
 C   0.8851000      0.8297000      0.4660000    
 C    5.691200      0.6179000      0.2640000    
 C    5.893900      -1.600200     -0.6369000    
 C   -4.032300      -1.662800      -1.227900    
 C   -4.499100     -0.8820000       1.450400    
 C    7.163600      0.6501000      0.6370000    
 C    5.763400      -1.083400      -2.059700    
 C   -4.691600      -2.518400     -0.3422000    
 C   -4.923700      -2.130300      0.9892000    
 H  -0.8615000       2.116200      -1.232000    
 H   -1.163300       2.649300      0.4295000    
 H   -1.014200      0.2768000       1.220100    
 H  -0.6949000     -0.2507000     -0.4464000    
 H   -3.128400       3.146100      -1.921300    
 H   -3.426500       3.638100     -0.2302000    
 H   -4.591000       2.627100      -1.084600    
 H    3.482300     -0.1155000     -0.8447000    
 H    3.403400      -1.770800     -0.2550000    
 H    3.226700      0.6677000       1.585900    
 H    3.090800      -1.032000       2.055400    
 H   0.9910000      -1.152000       1.105900    
 H    5.181700       1.225700       1.020000    
 H    5.522900       1.134400     -0.6877000    
 H    5.491500      -2.620400     -0.5875000    
 H    6.947600      -1.712200     -0.3605000    
 H   -3.851000      -1.958200      -2.255000    
 H   -4.675600     -0.5790000       2.476100    
 H    7.470100       1.684700      0.8292000    
 H    7.809100      0.2764000     -0.1634000    
 H    7.363200      7.8100003E-02   1.549800    
 H    6.252700      -1.797000      -2.733900    
 H    6.267900     -0.1271000      -2.222500    
 H    4.729100      -1.005500      -2.405600    
 H   -5.028800      -3.493400     -0.6834000    
 H   -5.438000      -2.809000       1.664100    


%chk=000039825-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039825

0 1
O -3.047849 0.189825 -1.354969
O -3.317531 1.171167 0.825876
O 1.469864 1.548273 0.742873
N 5.407728 -0.584355 0.073503
N 1.654294 -0.767834 0.678059
C -2.682822 1.409402 -0.528221
C -1.164867 1.473208 -0.374993
C -0.568177 0.228509 0.304438
C -3.327334 2.639603 -1.159936
C 3.981801 -0.754556 -0.286294
C -4.024743 -0.510345 -0.613281
C -4.182959 0.065745 0.668079
C 3.094305 -0.773801 0.987487
C 0.930190 0.408988 0.579565
C 5.783611 0.838867 0.280400
C 6.351296 -1.380424 -0.749029
C -4.752430 -1.635449 -1.011151
C -5.074449 -0.457385 1.608675
C 7.078977 1.014063 1.094571
C 6.485294 -0.966164 -2.241272
C -5.666714 -2.179052 -0.064579
C -5.824241 -1.602773 1.217309
H -0.727254 1.611229 -1.380905
H -0.898691 2.368725 0.214202
H -1.080490 0.073205 1.274016
H -0.752357 -0.671452 -0.311408
H -2.915353 2.806763 -2.169734
H -3.127678 3.529740 -0.539494
H -4.418518 2.500620 -1.240482
H 3.606513 0.050383 -0.960778
H 3.860453 -1.712579 -0.828120
H 3.301772 0.126137 1.590209
H 3.341694 -1.661386 1.596127
H 1.179179 -1.655028 0.505158
H 4.953100 1.322875 0.826428
H 5.873863 1.391026 -0.688472
H 6.026754 -2.437801 -0.694491
H 7.346787 -1.340235 -0.269025
H -4.622940 -2.072955 -2.004729
H -5.187132 -0.003979 2.597089
H 7.248643 2.084661 1.312204
H 7.967200 0.641435 0.552826
H 7.004292 0.467675 2.051453
H 7.187047 -1.642803 -2.764046
H 6.870820 0.064135 -2.345963
H 5.510755 -1.020240 -2.761051
H -6.258678 -3.057944 -0.340442
H -6.536525 -2.039917 1.924719


