%chk=000120906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120906

0 1
 O   0.1529000       2.531200       1.471900    
 O   0.4755000     -7.4900001E-02  -2.392200    
 N   0.2751000       1.190900     -0.4401000    
 C    3.060200      0.9310000     -2.9300001E-02
 C    2.913500     -0.3450000      0.8203000    
 C    2.322600       2.109900      0.6050000    
 C    2.497500      0.7302000      -1.436200    
 C    4.558600       1.271000     -0.1309000    
 C    3.683700      -1.500300      0.1983000    
 C   0.8181000       1.954600      0.6082000    
 C   0.9964000      0.5547000      -1.467900    
 C   -1.175100       1.034400     -0.4862000    
 C    3.559300      -2.756900       1.059600    
 C   -1.614100     -0.2257000      0.2606000    
 C    4.350200      -3.915100      0.4728000    
 C   -3.109400     -0.4112000      0.2015000    
 C   -3.904800      0.1480000       1.190400    
 C   -3.664700      -1.138600     -0.8404000    
 C   -5.288000     -2.4000000E-02   1.136000    
 C   -5.047900      -1.310600     -0.8948000    
 C   -5.859500     -0.7533000      9.3500003E-02
 H    1.861000     -0.6304000      0.9332000    
 H    3.289700     -0.1591000       1.835100    
 H    2.540000       3.042200      6.8099998E-02
 H    2.652400       2.247600       1.642200    
 H    2.963800     -0.1023000      -1.970200    
 H    2.705300       1.622000      -2.044400    
 H    5.040800       1.262500      0.8531000    
 H    5.104200      0.5922000     -0.7939000    
 H    4.699800       2.275100     -0.5495000    
 H    3.306300      -1.746900     -0.7980000    
 H    4.749700      -1.273400      0.1061000    
 H   -1.651300       1.917800     -4.3400001E-02
 H   -1.507700      0.9930000      -1.530700    
 H    2.505800      -3.047800       1.145700    
 H    3.923800      -2.553400       2.073400    
 H   -1.287800     -0.1796000       1.308000    
 H   -1.117100      -1.111300     -0.1566000    
 H    5.415100      -3.670400      0.4062000    
 H    3.991700      -4.167100     -0.5303000    
 H    4.245200      -4.803400       1.103600    
 H   -3.469000      0.7193000       2.005100    
 H   -3.041100      -1.574700      -1.615600    
 H   -5.919900      0.4103000       1.905100    
 H   -5.493100      -1.877800      -1.706900    
 H   -6.936500     -0.8870000      5.0900001E-02


%chk=000120906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000120906

0 1
O 0.086313 2.392540 1.529128
O 0.498319 -0.089848 -2.391194
N 0.287550 1.206091 -0.465730
C 3.163073 1.012830 -0.057563
C 3.044305 -0.304104 0.776849
C 2.350296 2.133868 0.644692
C 2.560400 0.859081 -1.479059
C 4.642968 1.453262 -0.169658
C 3.706614 -1.565179 0.175293
C 0.839407 1.928059 0.629443
C 1.059503 0.600878 -1.496453
C -1.187560 1.001364 -0.490680
C 3.586037 -2.790212 1.112621
C -1.608982 -0.281791 0.276586
C 4.215447 -4.066193 0.513513
C -3.116984 -0.472849 0.221644
C -3.957390 0.111344 1.204331
C -3.716119 -1.197802 -0.840864
C -5.361721 -0.028619 1.130744
C -5.120004 -1.340088 -0.917987
C -5.948124 -0.755306 0.068316
H 1.973028 -0.529708 0.960256
H 3.489075 -0.107768 1.774807
H 2.555007 3.106818 0.150764
H 2.643967 2.248083 1.702959
H 3.035065 0.043410 -2.048400
H 2.742855 1.792655 -2.051723
H 5.094712 1.570806 0.833073
H 5.244458 0.712829 -0.726424
H 4.731113 2.421355 -0.698426
H 3.236217 -1.817117 -0.796206
H 4.779357 -1.376516 -0.029592
H -1.653851 1.885350 -0.027194
H -1.494271 0.923384 -1.545930
H 2.515054 -2.974624 1.334667
H 4.069305 -2.556608 2.083255
H -1.270117 -0.190080 1.324844
H -1.094444 -1.146723 -0.180821
H 5.292249 -3.918866 0.305971
H 3.724487 -4.339883 -0.439254
H 4.118957 -4.925643 1.201788
H -3.506444 0.673434 2.031855
H -3.077219 -1.655172 -1.606855
H -5.996849 0.424831 1.900388
H -5.567011 -1.907054 -1.742665
H -7.036844 -0.866820 0.011290


