%chk=000090345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090345

0 1
 O    1.521000      0.9897000      -1.196500    
 O   0.5980000      -1.737700      -2.037100    
 O    3.760800       1.970600      9.3800001E-02
 N   -4.195000      4.9500000E-02  0.2261000    
 N  -0.3963000      -2.135200      2.0800000E-02
 C   -3.144900     -0.9180000      0.5205000    
 C   -2.700000      -1.678600     -0.7320000    
 C   -4.959100      0.3650000       1.434400    
 C   -3.625400       1.270300     -0.3472000    
 C   -1.608900      -2.718400     -0.4843000    
 C   -4.078200       1.016700       2.486700    
 C   -4.714500       2.261600     -0.7203000    
 C   0.6235000      -1.685700     -0.8102000    
 C    1.823800      -1.132100     -0.1321000    
 C    2.226400      0.1855000     -0.3502000    
 C    2.550600      -1.949300      0.7338000    
 C    3.356000      0.6859000      0.2975000    
 C    3.680000      -1.449000       1.381300    
 C    4.082800     -0.1314000       1.163300    
 C   0.4599000       1.753300     -0.6281000    
 C  -0.1861000       2.585400      -1.715300    
 C    4.925500       2.402000      0.7950000    
 H   -3.512000      -1.673800       1.228000    
 H   -2.274200     -0.4445000      0.9909000    
 H   -3.568200      -2.188400      -1.169200    
 H   -2.332700     -0.9788000      -1.491400    
 H   -5.831500      0.9907000       1.218400    
 H   -5.385300     -0.5596000       1.845400    
 H   -2.868300       1.750100      0.2828000    
 H   -3.112800       1.020300      -1.283300    
 H   -1.947200      -3.455100      0.2520000    
 H   -1.390700      -3.252000      -1.416000    
 H   -3.218100      0.4075000       2.778300    
 H   -4.671700       1.155300       3.398700    
 H   -3.729900       2.014000       2.204300    
 H   -4.290300       3.049300      -1.353300    
 H   -5.146800       2.760400      0.1521000    
 H   -5.518700       1.784700      -1.291000    
 H  -0.2922000      -2.048100       1.027700    
 H    2.251800      -2.979300      0.9106000    
 H    4.245800      -2.086600       2.054500    
 H    4.969300      0.1881000       1.700100    
 H   0.8532000       2.412000      0.1547000    
 H  -0.2854000       1.085100     -0.1828000    
 H   0.5493000       3.249200      -2.181600    
 H  -0.5824000       1.941600      -2.507600    
 H   -1.002600       3.190600      -1.311600    
 H    4.773000       2.385400       1.879600    
 H    5.813100       1.837500      0.4895000    
 H    5.101400       3.446000      0.5153000    


%chk=000090345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090345

0 1
O 1.309976 0.548261 -1.078897
O 0.086831 -2.979765 1.022191
O 3.631789 1.815092 -0.353163
N -4.163298 0.093547 0.337863
N -0.262004 -1.632693 -0.849657
C -3.079885 -0.924228 0.271890
C -2.736331 -1.331267 -1.177836
C -5.034333 -0.046906 1.534047
C -3.663068 1.467993 0.086655
C -1.516282 -2.282805 -1.256453
C -4.374696 0.246001 2.911024
C -4.784500 2.499975 -0.136675
C 0.445395 -2.012016 0.271742
C 1.712962 -1.228762 0.576759
C 2.098769 -0.005681 -0.038736
C 2.559423 -1.792837 1.569167
C 3.325939 0.626395 0.333244
C 3.757959 -1.162702 1.939749
C 4.150071 0.048764 1.323985
C 0.701120 1.892099 -0.822381
C -0.004072 2.310205 -2.109256
C 4.926983 2.441066 -0.072417
H -3.416542 -1.826671 0.816691
H -2.150561 -0.579232 0.786787
H -3.615447 -1.830044 -1.628295
H -2.540059 -0.429595 -1.793271
H -5.913413 0.610902 1.402767
H -5.422656 -1.083431 1.532812
H -2.986795 1.826036 0.907381
H -3.039975 1.428138 -0.827400
H -1.657465 -3.150804 -0.588563
H -1.409919 -2.663057 -2.291434
H -3.507395 -0.415485 3.089065
H -5.103555 0.076071 3.725516
H -4.028017 1.293337 2.984157
H -4.353458 3.470919 -0.443734
H -5.377356 2.675375 0.778819
H -5.469284 2.152655 -0.930688
H 0.103239 -0.821728 -1.369831
H 2.226467 -2.726800 2.031555
H 4.398876 -1.609278 2.707047
H 5.090846 0.526189 1.613395
H 1.507833 2.593873 -0.552229
H -0.007663 1.791206 0.024327
H 0.717935 2.376427 -2.940670
H -0.793066 1.588609 -2.387708
H -0.476055 3.300601 -1.974312
H 4.997352 2.771123 0.982300
H 5.761357 1.751584 -0.303663
H 4.971831 3.315044 -0.738666


