%chk=000156685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156685

0 1
 O    3.253800       1.683100      0.4099000    
 O   0.4683000      -2.314600      0.5626000    
 N    1.251300     -0.2032000     -0.1503000    
 C   -5.259200      0.4245000     -4.7699999E-02
 C   -3.781800      3.5999999E-03  1.8300001E-02
 C   -6.135300     -0.8044000     -0.3736000    
 C   -5.447500       1.489100      -1.150100    
 C   -5.795800       1.031200       1.268800    
 C   -3.210400     -0.5460000      -1.102000    
 C   -3.102100      0.1946000       1.195200    
 C   -1.146600     -0.7510000      0.1373000    
 C   -1.870700     -0.9296000      -1.041400    
 C   -1.762300     -0.1889000       1.255600    
 C   0.2509000      -1.149300      0.2008000    
 C    2.650900     -0.5826000     -9.7400002E-02
 C    3.582300      0.3800000      0.1806000    
 C   0.8794000       1.158200     -0.5672000    
 C    2.956000      -1.896700     -0.3312000    
 C    4.923700      3.0000001E-04  0.2282000    
 C    4.297300      -2.276400     -0.2835000    
 C    5.281100      -1.328000     -3.8999999E-03
 C    4.218100       2.667600      4.4399999E-02
 C    3.498600       3.938800     -0.3533000    
 H   -7.199000     -0.5388000     -0.3839000    
 H   -5.905800      -1.233300      -1.355100    
 H   -5.997500      -1.596400      0.3723000    
 H   -5.204800       1.106200      -2.147300    
 H   -6.486300       1.838000      -1.188100    
 H   -4.809800       2.362500     -0.9684000    
 H   -6.850900       1.313500       1.164800    
 H   -5.744000      0.3186000       2.100400    
 H   -5.255400       1.942400       1.551000    
 H   -3.753500     -0.6946000      -2.028900    
 H   -3.528900      0.6251000       2.091800    
 H   -1.400500      -1.366400      -1.918800    
 H   -1.206400     -4.4900000E-02   2.178700    
 H   0.8350000       1.806600      0.3126000    
 H  -0.1048000       1.177300      -1.040000    
 H    1.576700       1.533500      -1.322000    
 H    2.252500      -2.655700     -0.6480000    
 H    5.720200      0.6970000      0.4723000    
 H    4.578700      -3.306100     -0.4843000    
 H    6.325200      -1.624800      3.4899998E-02
 H    4.872600       2.865000      0.9005000    
 H    4.821600       2.354100     -0.8167000    
 H    4.211200       4.726600     -0.6132000    
 H    2.843200       3.760700      -1.212100    
 H    2.862300       4.293800      0.4642000    


%chk=000156685-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156685

0 1
O 3.013878 1.510563 0.430338
O 0.654080 -2.261190 0.087857
N 1.360680 -0.256642 -0.898955
C -5.298315 0.546415 0.043369
C -3.804162 0.165676 -0.078515
C -5.998336 -0.421422 1.045394
C -5.976361 0.418243 -1.354649
C -5.500397 1.997720 0.550244
C -3.438434 -1.137266 -0.521250
C -2.752688 1.061267 0.243960
C -1.048615 -0.610172 -0.341508
C -2.091340 -1.525167 -0.637052
C -1.397480 0.685156 0.111079
C 0.374802 -1.109765 -0.374771
C 2.755905 -0.585706 -0.719174
C 3.617581 0.336133 -0.052286
C 1.076009 0.906817 -1.772975
C 3.284547 -1.805377 -1.191759
C 4.993117 0.034649 0.101545
C 4.652986 -2.114919 -1.025871
C 5.503858 -1.189667 -0.384702
C 3.850826 2.444544 1.210926
C 2.937956 3.579543 1.667534
H -7.071440 -0.166932 1.133615
H -5.925434 -1.473758 0.717878
H -5.540271 -0.347344 2.048588
H -5.892012 -0.607136 -1.756924
H -7.051884 0.666484 -1.280817
H -5.510312 1.107167 -2.082836
H -6.581447 2.219223 0.614294
H -5.069815 2.144615 1.558211
H -5.047255 2.738580 -0.134422
H -4.218742 -1.865704 -0.769992
H -2.982555 2.066285 0.609714
H -1.826287 -2.543692 -0.939655
H -0.608935 1.394357 0.387919
H 1.324596 1.855521 -1.267120
H 0.014846 0.908642 -2.060667
H 1.688381 0.823973 -2.689852
H 2.606163 -2.514400 -1.672958
H 5.665397 0.735559 0.604497
H 5.046271 -3.068361 -1.392591
H 6.567859 -1.416782 -0.254653
H 4.288573 1.906508 2.076142
H 4.676405 2.823594 0.573933
H 3.512539 4.310087 2.265457
H 2.502037 4.105417 0.800558
H 2.114821 3.188862 2.289704


