%chk=000057662.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057662

0 1
 O    1.801300     -2.1500001E-02 -0.1590000    
 O   -4.397400       1.133300      0.5555000    
 N   -4.429900      -1.159500      0.5680000    
 C  -0.2643000      -1.198400      7.9200000E-02
 C  -0.2273000       1.217200      8.3400004E-02
 C   0.4467000     -1.1000000E-03 -1.9999999E-04
 C   0.4396000      -2.512600     -8.3999997E-03
 C   0.5163000       2.509500      3.9999999E-04
 C   -1.649500      -1.177500      0.2418000    
 C   -1.612600       1.238100      0.2460000    
 C   0.5471000      -3.017200      -1.453400    
 C   0.6393000       3.015700      -1.442800    
 C   -2.323700      4.0700000E-02  0.3252000    
 C    2.591100     -3.5900000E-02   1.027600    
 C    1.294300      -4.338600      -1.538400    
 C    1.367900       4.348100      -1.516200    
 C    4.061700     -3.6300000E-02  0.6394000    
 C   -3.768000      6.2500000E-02  0.4946000    
 C    4.967400     -6.6399999E-02   1.857400    
 H    1.437000      -2.468300      0.4376000    
 H  -9.9200003E-02  -3.255800      0.5948000    
 H  -4.0000002E-03   3.264600      0.6052000    
 H    1.511500       2.436200      0.4480000    
 H   -2.150900      -2.136800      0.2933000    
 H   -2.128900       2.193200      0.3078000    
 H  -0.4544000      -3.142200      -1.882700    
 H    1.066200      -2.275200      -2.072500    
 H    1.176700       2.279700      -2.053300    
 H  -0.3569000       3.128700      -1.887800    
 H    2.369600      0.8413000       1.645800    
 H    2.364100     -0.9244000       1.626900    
 H    1.353500      -4.674900      -2.578200    
 H   0.7847000      -5.114500     -0.9584000    
 H    2.314700      -4.236900      -1.155500    
 H   0.8364000       5.117100     -0.9467000    
 H    2.382600       4.261900      -1.114500    
 H    1.440900       4.683900      -2.555300    
 H    4.281800      0.8506000      3.3100002E-02
 H    4.272100     -0.9006000     -1.9000000E-03
 H    4.799300      0.8089000       2.493000    
 H    6.017600     -6.5600000E-02   1.549300    
 H    4.790000     -0.9655000       2.456200    
 H   -5.439100      -1.170200      0.6790000    
 H   -4.000600      -2.074500      0.5237000    


%chk=000057662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057662

0 1
O 1.786447 -0.044478 -0.130945
O -4.495225 1.235137 0.725066
N -4.635644 -1.069418 0.745400
C -0.318305 -1.265750 0.148783
C -0.293775 1.223326 0.169592
C 0.378870 -0.027414 0.087159
C 0.409540 -2.585701 -0.047408
C 0.453209 2.534435 -0.009333
C -1.720192 -1.230085 0.330385
C -1.693979 1.209295 0.352178
C 0.696664 -2.883686 -1.546627
C 0.700801 2.865798 -1.509010
C -2.420577 -0.002252 0.440284
C 2.602016 -0.041204 1.112910
C 1.439779 -4.221233 -1.744145
C 1.453559 4.199648 -1.694475
C 4.074113 -0.030510 0.696032
C -3.910092 0.109090 0.644950
C 5.016335 -0.033311 1.920396
H 1.376290 -2.584083 0.490148
H -0.194640 -3.412487 0.375761
H -0.128006 3.357068 0.449930
H 1.435119 2.504102 0.499163
H -2.244085 -2.193612 0.377324
H -2.257277 2.146003 0.427900
H -0.260886 -2.896825 -2.103460
H 1.296633 -2.051685 -1.959948
H 1.278146 2.038046 -1.962212
H -0.273054 2.905242 -2.034809
H 2.349433 0.853675 1.719356
H 2.361623 -0.942948 1.714912
H 1.633622 -4.417171 -2.814506
H 0.851695 -5.070421 -1.346376
H 2.414862 -4.213873 -1.220922
H 0.884470 5.043858 -1.260838
H 2.442234 4.170258 -1.197910
H 1.620396 4.419612 -2.764800
H 4.259430 0.862642 0.070258
H 4.269408 -0.913407 0.058692
H 4.849976 0.854980 2.558199
H 6.073501 -0.024699 1.601332
H 4.860725 -0.932251 2.545981
H -5.642294 -0.989165 0.881111
H -4.216168 -1.993748 0.691523


