%chk=000019484.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019484

0 1
 O    2.157300     -0.5791000     -0.4628000    
 O   -1.800800     -6.2000002E-03  5.5399999E-02
 O   0.3568000      -1.455200      0.6728000    
 O   -3.384500       3.739500     -0.1180000    
 N    7.630100     -0.1859000      0.8195000    
 C    5.061600     -0.7626000     -0.4809000    
 C    5.383000      -1.225700      0.9456000    
 C    6.360700     -0.5737000      -1.274700    
 C    4.129600      -1.747700      -1.180700    
 C    6.402600     -0.3008000       1.609900    
 C    7.342200      0.3247000     -0.5226000    
 C    2.790500      -1.863100     -0.4687000    
 C   0.9337000     -0.4989000      0.1420000    
 C   0.3961000      0.8540000      8.0499999E-02
 C  -0.9788000       1.088100      3.7599999E-02
 C   -1.462700       2.390900     -2.1400001E-02
 C   -3.169600      0.1929000      1.0300000E-02
 C   -3.780800       1.393600     -4.1299999E-02
 C    1.284300       1.929500      6.4199999E-02
 C   -2.916600       2.609100     -6.4300001E-02
 C  -0.5762000       3.471400     -3.8500000E-02
 C   0.7987000       3.236000      4.6999999E-03
 C   -3.911400      -1.075100      3.0700000E-02
 C   -5.260700       1.646000     -6.8000004E-02
 C   -4.234200      -1.714400      -1.166800    
 C   -4.293600      -1.641000       1.247500    
 C   -4.938700      -2.918100      -1.147500    
 C   -4.998000      -2.844900       1.266600    
 C   -5.320500      -3.483300      6.8999998E-02
 H    4.570700      0.2182000     -0.4206000    
 H    5.774500      -2.251200      0.9310000    
 H    4.483900      -1.231100       1.570200    
 H    6.141100     -0.1331000      -2.254400    
 H    6.830300      -1.548400      -1.461500    
 H    4.594300      -2.738500      -1.247300    
 H    3.955900      -1.399000      -2.206600    
 H    5.964800      0.6922000       1.770800    
 H    6.657200     -0.7004000       2.597700    
 H    8.279900      0.3795000      -1.086400    
 H    6.947900       1.346400     -0.4594000    
 H    8.274600      0.4489000       1.289700    
 H    2.154600      -2.560800      -1.026800    
 H    2.891400      -2.243400      0.5522000    
 H    2.360600       1.785300      0.1113000    
 H  -0.9345000       4.495900     -8.3499998E-02
 H    1.491900       4.072200     -4.4999998E-03
 H   -5.535700       2.185900     -0.9803000    
 H   -5.557000       2.251600      0.7951000    
 H   -5.856200      0.7294000     -4.1000001E-02
 H   -3.943100      -1.286400      -2.123000    
 H   -4.049200      -1.155300       2.189200    
 H   -5.189900      -3.415400      -2.079900    
 H   -5.295400      -3.285200       2.213800    
 H   -5.868900      -4.420600      8.3899997E-02


%chk=000019484-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019484

0 1
O 2.164696 -0.597102 -0.514832
O -1.968339 0.087083 -0.201951
O 0.213795 -1.514722 0.361534
O -3.508887 3.930780 -0.208374
N 7.710023 -0.181961 1.048984
C 5.166589 -0.822810 -0.252459
C 5.476093 -1.226780 1.212779
C 6.494248 -0.679240 -1.040888
C 4.220484 -1.821303 -0.964796
C 6.474506 -0.242545 1.859676
C 7.466268 0.287633 -0.332604
C 2.817495 -1.935384 -0.368685
C 0.831746 -0.520773 -0.092068
C 0.310103 0.872458 -0.233838
C -1.087721 1.159278 -0.221936
C -1.577926 2.487196 -0.267549
C -3.367891 0.277179 -0.136622
C -3.918365 1.552290 -0.099697
C 1.201238 1.967697 -0.333215
C -3.040518 2.740787 -0.201497
C -0.652782 3.558748 -0.350689
C 0.727851 3.300871 -0.393514
C -4.025783 -1.048625 -0.086956
C -5.393398 1.839246 0.076396
C -5.368585 -1.249686 -0.514816
C -3.275127 -2.172727 0.371136
C -5.953824 -2.531360 -0.456178
C -3.870246 -3.448245 0.432216
C -5.212803 -3.634448 0.026295
H 4.668708 0.170821 -0.236976
H 5.921582 -2.241634 1.226017
H 4.550942 -1.253189 1.820647
H 6.289732 -0.316169 -2.067803
H 6.980919 -1.671582 -1.123455
H 4.674893 -2.833860 -0.939072
H 4.127186 -1.540840 -2.032593
H 5.974449 0.757196 1.952813
H 6.734465 -0.580413 2.879857
H 8.430795 0.322373 -0.872062
H 7.025129 1.318513 -0.361797
H 8.464064 0.337143 1.516068
H 2.198993 -2.679206 -0.902484
H 2.822988 -2.201043 0.703823
H 2.273620 1.757178 -0.354153
H -1.059594 4.574860 -0.378665
H 1.442084 4.126900 -0.464402
H -5.934748 1.832389 -0.889108
H -5.497436 2.858951 0.483014
H -5.881871 1.117754 0.752266
H -5.947538 -0.420417 -0.926083
H -2.228038 -2.034853 0.658165
H -6.985807 -2.669784 -0.796542
H -3.282856 -4.299687 0.792547
H -5.671804 -4.628236 0.073926


