%chk=000040359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040359

0 1
 O   -1.625400     -0.6644000       1.473900    
 O   -1.378700      -1.515500     -0.7679000    
 O    2.523500       3.846000      0.3681000    
 O    5.169100      -1.686700      -1.183800    
 N    2.358200      0.1628000      0.3245000    
 C  -0.9755000      -1.636900      0.6186000    
 C   0.5349000      -1.419800      0.7024000    
 C   0.9127000     -1.3300000E-02  0.2535000    
 C   -1.348600      -3.035400       1.108500    
 C    2.735200       1.510800     -0.1043000    
 C    3.040500     -0.8400000     -0.4954000    
 C   -2.397900      9.3000000E-03  0.5769000    
 C   -2.257000     -0.4766000     -0.7028000    
 C    2.118300       2.557100      0.8101000    
 C    4.549200     -0.6851000     -0.3880000    
 C   -3.240600       1.062700      0.8651000    
 C   -2.950800      6.4300001E-02  -1.765500    
 C   -3.955600       1.628500     -0.1932000    
 C   -3.811600       1.132100      -1.500800    
 H   0.8830000      -1.581300       1.730600    
 H   0.9747000      -2.186900      5.9599999E-02
 H   0.4114000      0.6780000      0.9340000    
 H   0.5533000      0.1857000     -0.7633000    
 H   -1.060300      -3.180900       2.154900    
 H  -0.8820000      -3.811700      0.4932000    
 H   -2.432800      -3.185100       1.048900    
 H    3.812100       1.688000     -3.8600001E-02
 H    2.452300       1.705400      -1.147500    
 H    2.730500     -0.7937000      -1.547800    
 H    2.851800      -1.861900     -0.1555000    
 H    1.026800       2.567100      0.7789000    
 H    2.447900       2.425200       1.846200    
 H    4.919100      0.2611000     -0.7861000    
 H    4.890600     -0.8011000      0.6463000    
 H   -3.348300       1.442500       1.874700    
 H   -2.836600     -0.3212000      -2.772100    
 H   -4.629500       2.460100     -6.0000001E-03
 H   -4.375600       1.584800      -2.311800    
 H    2.131400       4.494300      0.9777000    
 H    6.130300      -1.579600      -1.082000    


%chk=000040359-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040359

0 1
O -1.649795 -0.189954 1.319240
O -1.428332 -1.548112 -0.655937
O 3.225307 3.788921 1.216756
O 5.157240 -1.746714 -1.508376
N 2.436897 0.352757 -0.033627
C -0.927638 -1.401531 0.766177
C 0.576131 -1.125412 0.744834
C 0.967105 0.150208 -0.030638
C -1.358541 -2.629856 1.563082
C 2.841909 1.779451 -0.049676
C 3.164734 -0.489891 -1.012480
C -2.649676 0.138014 0.375735
C -2.519674 -0.659721 -0.783924
C 2.850862 2.371336 1.366277
C 4.505152 -0.969844 -0.439315
C -3.638774 1.118214 0.491367
C -3.373591 -0.512741 -1.880418
C -4.518459 1.278493 -0.616740
C -4.388443 0.480630 -1.777127
H 0.934043 -1.037083 1.787129
H 1.071888 -2.011065 0.303751
H 0.494891 1.016675 0.464653
H 0.551568 0.098925 -1.063576
H -1.057493 -2.520655 2.618986
H -0.886931 -3.536459 1.146875
H -2.454249 -2.747931 1.517414
H 3.863324 1.863661 -0.462393
H 2.182430 2.403343 -0.695803
H 3.355418 0.040713 -1.973146
H 2.556536 -1.378719 -1.258259
H 1.847151 2.272687 1.832550
H 3.584462 1.819941 1.990235
H 5.129444 -0.099424 -0.143032
H 4.318861 -1.591355 0.461012
H -3.728099 1.731809 1.391780
H -3.262131 -1.132717 -2.773942
H -5.308963 2.034236 -0.563910
H -5.079158 0.624433 -2.614427
H 3.228139 4.225362 2.104749
H 6.036457 -2.071927 -1.191655


