%chk=000040296.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040296

0 1
 O    2.117400      4.1200001E-02  0.4498000    
 O   -4.915400       1.140400      0.3305000    
 O    1.286400       1.579900      -1.001200    
 N    5.627600     -0.8499000     -0.2370000    
 N  -9.9699996E-02  0.7009000      0.6884000    
 C    6.369200      -2.085700      5.0700001E-02
 C    6.402800      0.3372000      0.1499000    
 C    7.705100      -2.113600     -0.6938000    
 C    7.739800      0.3884000     -0.5911000    
 C    8.547100     -0.8854000     -0.3679000    
 C    4.333200     -0.8597000      0.4441000    
 C    3.363300      9.5799997E-02 -0.2325000    
 C    1.108500      0.8495000     -2.9300001E-02
 C   -6.447500     -0.6398000     -0.1594000    
 C   -6.651300      -2.152000     -0.2208000    
 C   -1.270300       1.453000      0.2885000    
 C  -0.1763000     -0.2121000       1.838400    
 C   -5.044800     -0.2803000      0.3094000    
 C   -8.047700      -2.504500     -0.7325000    
 C   -2.544300      0.9278000      0.5048000    
 C   -3.672100       1.652500      0.1195000    
 C   -1.124100       2.702800     -0.3133000    
 C  -0.5864000      -1.606800       1.413300    
 C   -8.242800      -4.009400     -0.8273000    
 C   -3.525900       2.902300     -0.4824000    
 C   -2.251900       3.427500     -0.6988000    
 H    6.544600      -2.192900       1.129300    
 H    5.785500      -2.956000     -0.2733000    
 H    5.863200       1.257600     -9.5500000E-02
 H    6.586400      0.3481000       1.232600    
 H    8.258000      -3.021700     -0.4282000    
 H    7.522300      -2.155000      -1.775100    
 H    7.559800      0.5238000      -1.665200    
 H    8.318100       1.255500     -0.2523000    
 H    9.449900     -0.8725000     -0.9881000    
 H    8.874400     -0.9328000      0.6780000    
 H    3.880300      -1.859600      0.3950000    
 H    4.423200     -0.6352000       1.515300    
 H    3.728000       1.127400     -0.1986000    
 H    3.215300     -0.1957000      -1.279600    
 H   -7.184900     -0.1837000      0.5128000    
 H   -6.624300     -0.1928000      -1.145800    
 H   -6.503300      -2.584700      0.7760000    
 H   -5.897300      -2.597500     -0.8813000    
 H   0.7925000     -0.2524000       2.348100    
 H  -0.8848000      0.1937000       2.570200    
 H   -4.875600     -0.6700000       1.319900    
 H   -4.329400     -0.7395000     -0.3855000    
 H   -8.806600      -2.083500     -6.3000001E-02
 H   -8.205400      -2.060100      -1.722200    
 H   -2.674900     -1.2000000E-02   1.021300    
 H  -0.1654000       3.193200     -0.4391000    
 H   0.2030000      -2.063900      0.8057000    
 H   -1.498400      -1.651800      0.8165000    
 H  -0.7282000      -2.240100       2.294900    
 H   -9.248300      -4.238800      -1.193800    
 H   -8.121900      -4.483000      0.1522000    
 H   -7.519700      -4.456400      -1.517000    
 H   -4.400800       3.473100     -0.7814000    
 H   -2.139500       4.408200      -1.152100    


%chk=000040296-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040296

0 1
O 2.159277 -0.085299 0.100120
O -4.951064 1.088443 -0.313876
O 1.543431 1.873506 -1.019204
N 5.839220 -0.743134 -0.060118
N -0.048552 0.570363 0.180185
C 6.602404 -2.018004 -0.025122
C 6.514524 0.312892 0.739704
C 8.030131 -1.822471 -0.574555
C 7.938853 0.582869 0.213762
C 8.773807 -0.717685 0.210124
C 4.414329 -0.915811 0.307942
C 3.550493 0.156116 -0.369632
C 1.219913 0.885861 -0.310676
C -6.647065 -0.626630 -0.162773
C -6.980104 -2.120683 0.052420
C -1.197942 1.399795 -0.101421
C -0.225553 -0.668097 0.996061
C -5.143057 -0.354478 -0.087641
C -8.496006 -2.412569 -0.031599
C -2.490079 0.801936 -0.084828
C -3.639847 1.594976 -0.308042
C -1.075590 2.790089 -0.355302
C -0.348677 -1.956027 0.155105
C -8.832499 -3.904481 0.176533
C -3.523532 2.983283 -0.555616
C -2.239709 3.558275 -0.580618
H 6.666482 -2.423952 1.020167
H 6.060774 -2.763677 -0.636587
H 5.914576 1.239591 0.690726
H 6.573130 0.012756 1.820831
H 8.579598 -2.781879 -0.516808
H 7.962682 -1.536394 -1.641934
H 7.868292 0.982383 -0.816134
H 8.421290 1.355840 0.842489
H 9.773111 -0.536289 -0.228621
H 8.935176 -1.053798 1.255649
H 4.075696 -1.909290 -0.039121
H 4.248125 -0.881005 1.412886
H 3.848825 1.183172 -0.095853
H 3.589458 0.065107 -1.468526
H -7.160905 -0.009861 0.599258
H -7.020041 -0.293808 -1.150310
H -6.601428 -2.450628 1.042782
H -6.450010 -2.734811 -0.705687
H 0.642886 -0.756167 1.667881
H -1.119301 -0.518617 1.625057
H -4.738551 -0.634850 0.908665
H -4.597928 -0.930634 -0.865808
H -9.026526 -1.801873 0.726849
H -8.875353 -2.080092 -1.019152
H -2.594480 -0.273020 0.071440
H -0.091146 3.254879 -0.397045
H 0.576947 -2.123919 -0.420070
H -1.193343 -1.907696 -0.554688
H -0.503447 -2.826166 0.819781
H -9.920699 -4.085914 0.107991
H -8.494158 -4.253996 1.170358
H -8.336551 -4.533396 -0.586805
H -4.428903 3.572313 -0.726202
H -2.135685 4.631654 -0.773690


