%chk=000009681.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009681

0 1
 O    2.505500       1.140800       1.260900    
 O    5.740300       1.689200      -1.731900    
 N   0.2367000      -2.435500      1.9200001E-02
 N   -5.311100     -0.1022000      0.1109000    
 N    4.063500      5.9599999E-02 -8.9199997E-02
 C  -0.9263000      -1.547100      0.2893000    
 C  -0.7092000     -5.5100001E-02 -0.1010000    
 C   -2.275400      -2.176300     -0.2141000    
 C    1.739500     -0.4636000     -0.3317000    
 C    1.484600      -1.772900      0.4269000    
 C   -3.393300      -1.210200     -5.4400001E-02
 C   -1.889400      0.8423000     -6.6500001E-02
 C   -3.121200      0.1745000     -1.7700000E-02
 C   0.5166000      0.4042000     -0.4139000    
 C   -4.323400      0.8582000      7.0600003E-02
 C   -4.756900      -1.360900      3.1599998E-02
 C   0.3248000      -2.930500      -1.354800    
 C    2.790300      0.3332000      0.3804000    
 C   -1.924400       2.242900     -3.4000002E-02
 C   -4.372200       2.252200      0.1034000    
 C   -3.144900       2.929000      4.6000000E-02
 C    5.249700      0.7122000      0.4160000    
 C   -6.730800      0.1587000      0.2147000    
 C    6.468300     -0.2162000      0.3301000    
 C    5.496700       2.003000     -0.3652000    
 C    6.261900      -1.529200       1.074600    
 H   -1.020700      -1.524000       1.387700    
 H   -2.483700      -3.101500      0.3359000    
 H   -2.223500      -2.422400      -1.280800    
 H    2.066700     -0.6733000      -1.357900    
 H    2.335900      -2.453600      0.2934000    
 H    1.446800      -1.589200       1.510300    
 H   0.6632000       1.433100     -0.7323000    
 H   -5.377600      -2.246900      3.0400001E-02
 H    1.268400      -3.465100      -1.516200    
 H   0.2538000      -2.134100      -2.103000    
 H  -0.4606000      -3.666600      -1.553400    
 H   -1.007400       2.825700     -5.4000001E-02
 H   -5.308400       2.794900      0.1708000    
 H   -3.140000       4.016400      7.2600000E-02
 H    4.175800     -0.5922000     -0.8606000    
 H    5.073600      0.9746000       1.466500    
 H   -7.277300     -0.7875000      0.2381000    
 H   -6.912100      0.7143000       1.138200    
 H   -7.037600      0.7434000     -0.6562000    
 H    6.701900     -0.4550000     -0.7146000    
 H    7.345400      0.2942000      0.7458000    
 H    4.636000       2.678200     -0.3153000    
 H    6.370900       2.534800      2.3000000E-02
 H    5.463400      -2.127900      0.6255000    
 H    6.010000      -1.348300       2.124400    
 H    7.179800      -2.125100       1.045000    
 H    4.952100       1.231000      -2.070100    


%chk=000009681-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009681

0 1
O 2.745507 1.543955 0.911929
O 6.093824 1.678286 -1.786108
N 0.272422 -2.274546 -0.007156
N -5.454357 -0.210353 0.180801
N 4.165929 0.091347 -0.216582
C -0.944309 -1.448252 0.242043
C -0.776810 0.036075 -0.203966
C -2.230556 -2.145869 -0.304325
C 1.736893 -0.264159 -0.445645
C 1.485178 -1.553078 0.422895
C -3.425365 -1.257522 -0.064732
C -2.003534 0.870782 -0.131069
C -3.226441 0.163603 -0.030833
C 0.455946 0.543619 -0.501584
C -4.491453 0.807968 0.113760
C -4.797040 -1.461751 0.071225
C 0.406051 -2.861638 -1.358021
C 2.900528 0.551745 0.134963
C -2.090806 2.283819 -0.086046
C -4.574681 2.218683 0.152303
C -3.354431 2.931041 0.045380
C 5.404996 0.635964 0.387072
C -6.892578 -0.005396 0.349871
C 6.516367 -0.438186 0.398125
C 5.837949 1.923586 -0.358165
C 6.167366 -1.693816 1.225733
H -1.070002 -1.406745 1.346646
H -2.323404 -3.136230 0.178682
H -2.123040 -2.319727 -1.393301
H 2.025276 -0.598548 -1.468516
H 2.353353 -2.237596 0.370952
H 1.356747 -1.241574 1.476526
H 0.561541 1.605941 -0.753694
H -5.375326 -2.384373 0.096362
H 1.377445 -3.386485 -1.412630
H 0.362825 -2.121390 -2.193039
H -0.381233 -3.613666 -1.530694
H -1.184409 2.897930 -0.120141
H -5.524728 2.751930 0.264627
H -3.380883 4.026349 0.080702
H 4.243894 -0.734597 -0.814055
H 5.157703 0.930315 1.427081
H -7.404171 -0.981220 0.353910
H -7.114128 0.506772 1.305115
H -7.307593 0.600152 -0.477622
H 6.768127 -0.710517 -0.646768
H 7.427579 0.031858 0.815303
H 5.063116 2.702928 -0.219828
H 6.797382 2.289115 0.045246
H 5.273860 -2.214513 0.833474
H 5.958033 -1.429468 2.278887
H 7.004117 -2.415423 1.216525
H 5.226025 1.451074 -2.208220


