%chk=000159951.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159951

0 1
 O   -5.284100     -0.4644000      -1.019600    
 O   -6.646500      4.5499999E-02   1.253400    
 N  -0.9455000     -0.3991000     -0.4438000    
 N   -5.298100      0.4019000       1.118800    
 C    1.865700     -0.5089000      0.3801000    
 C    1.338500      -1.261600     -0.8514000    
 C   0.9684000      0.7036000      0.6737000    
 C  -0.1450000      -1.605600     -0.6940000    
 C  -0.5020000      0.2897000      0.7760000    
 C   -2.365700     -0.7378000     -0.3521000    
 C    3.325300     -0.1234000      0.2365000    
 C   -3.241600      0.5088000     -0.1439000    
 C    4.320600     -0.9960000      0.6726000    
 C    3.668000       1.102500     -0.3309000    
 C   -3.029100       1.553900      -1.241500    
 C   -4.711100      9.0999998E-02 -8.4600002E-02
 C    5.663200     -0.6417000      0.5407000    
 C    5.010700       1.456800     -0.4628000    
 C    6.008400      0.5848000     -2.7000001E-02
 H    1.784100      -1.179400       1.248200    
 H    1.910800      -2.185000      -1.004100    
 H    1.479600     -0.6540000      -1.755400    
 H    1.026000       1.458600     -0.1183000    
 H    1.278800       1.190600       1.606600    
 H  -0.4808000      -2.088800      -1.619600    
 H  -0.2697000      -2.334400      0.1177000    
 H  -0.6477000     -0.3437000       1.661000    
 H   -1.044800       1.222900      0.9469000    
 H   -2.549700      -1.452100      0.4624000    
 H   -2.678300      -1.237900      -1.278600    
 H   -3.015500      0.9809000      0.8181000    
 H    4.064900      -1.955400       1.114400    
 H    2.933100       1.801800     -0.7119000    
 H   -3.194400       1.122400      -2.235000    
 H   -3.738700       2.380700      -1.125100    
 H   -2.020800       1.977700      -1.215700    
 H    6.440000      -1.321200      0.8790000    
 H    5.280400       2.408700     -0.9111000    
 H    7.053800      0.8600000     -0.1314000    
 H   -4.829900      0.7390000       1.952100    
 H   -7.071400      0.8853000       1.009400    


%chk=000159951-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159951

0 1
O -5.376908 -0.517406 -0.835747
O -6.861253 0.338449 1.184007
N -0.979513 -0.332369 -0.192865
N -5.474338 0.710922 1.077381
C 1.926873 -0.596494 0.344517
C 1.277587 -1.022593 -1.001669
C 1.052257 0.514265 0.990260
C -0.193552 -1.435084 -0.803922
C -0.414460 0.059633 1.122329
C -2.427040 -0.630775 -0.134262
C 3.385883 -0.176724 0.186356
C -3.304752 0.657472 -0.106920
C 4.419170 -0.889716 0.846408
C 3.748651 0.933390 -0.622784
C -3.085866 1.513541 -1.377981
C -4.766426 0.241424 0.000122
C 5.774171 -0.510820 0.706037
C 5.100026 1.316256 -0.766808
C 6.120282 0.595440 -0.102373
H 1.896156 -1.477877 1.020790
H 1.843319 -1.863522 -1.446034
H 1.317962 -0.178456 -1.716341
H 1.090717 1.426472 0.364889
H 1.451276 0.777752 1.988426
H -0.647785 -1.686167 -1.780081
H -0.233151 -2.360726 -0.170034
H -0.472474 -0.794478 1.850045
H -1.018448 0.885121 1.542685
H -2.685345 -1.268769 0.748778
H -2.710804 -1.202564 -1.036601
H -3.038023 1.259517 0.786629
H 4.158104 -1.750166 1.475663
H 2.971094 1.503833 -1.145583
H -3.481999 0.983322 -2.262073
H -3.595972 2.490699 -1.303117
H -2.003557 1.676558 -1.516088
H 6.556256 -1.076894 1.225059
H 5.359313 2.175351 -1.396393
H 7.169176 0.892348 -0.214030
H -5.182411 1.336262 1.825581
H -6.954298 -0.239729 0.355546


