%chk=000093742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093742

0 1
 O   0.5012000       1.655000      0.1940000    
 O   -2.958000       1.923300      -1.574700    
 O   -1.622600      -1.328900      0.9257000    
 N   -1.462100      0.2204000     -0.8232000    
 N    2.059500     -6.1999999E-02  1.3700000E-02
 C  -0.1098000     -0.1592000      -1.190500    
 C   3.5100002E-02  0.3106000      -2.622500    
 C  -0.8526000       1.544400      -2.691400    
 C   0.8324000      0.5611000     -0.2708000    
 C   -1.923600       1.277000      -1.659600    
 C    2.421000      -1.366300     -0.5581000    
 C    3.035300      0.5389000      0.8813000    
 C    1.970400      -2.514600      0.3367000    
 C    4.004200       1.424100      0.1068000    
 C   -2.103300     -0.4171000      0.2553000    
 C    2.342400      -3.869100     -0.2664000    
 C    5.035100       2.066300       1.035200    
 C    1.856700      -5.021600      0.6122000    
 C    5.983100       2.984000      0.2638000    
 C   -3.446600      5.4099999E-02  0.6221000    
 C    2.254200      -6.369800      3.2600001E-02
 C    7.030600       3.598600       1.178500    
 C   -4.572600     -0.5216000      3.3000000E-02
 C   -3.595600       1.076400       1.559400    
 C   -5.847300     -7.4699998E-02  0.3811000    
 C   -4.870500       1.523000       1.907400    
 C   -5.996200      0.9474000       1.318200    
 H  -3.5599999E-02  -1.243400      -1.107900    
 H    1.065800      0.5287000      -2.918600    
 H  -0.3576000     -0.4541000      -3.304400    
 H  -0.3080000       2.450700      -2.409300    
 H   -1.292700       1.670800      -3.683800    
 H    2.004800      -1.470200      -1.564100    
 H    3.510200      -1.395700     -0.6855000    
 H    3.570500     -0.2439000       1.430900    
 H    2.511000       1.149600       1.626200    
 H   0.8891000      -2.471500      0.5048000    
 H    2.435900      -2.417000       1.325400    
 H    3.446300       2.206700     -0.4229000    
 H    4.519100      0.8345000     -0.6615000    
 H    3.430900      -3.930000     -0.3872000    
 H    1.900400      -3.961100      -1.266000    
 H    5.611300       1.281700       1.540700    
 H    4.521600       2.642900       1.814300    
 H    2.279100      -4.925800       1.619300    
 H   0.7659000      -4.979400      0.7124000    
 H    6.486900       2.418100     -0.5285000    
 H    5.413300       3.785000     -0.2216000    
 H    1.895900      -7.179500      0.6761000    
 H    3.342400      -6.456600     -4.8700001E-02
 H    1.822600      -6.511000     -0.9635000    
 H    6.561300       4.197400       1.965500    
 H    7.697000       4.251700      0.6065000    
 H    7.640200       2.823300       1.653500    
 H   -4.467700      -1.318400     -0.6987000    
 H   -2.724900       1.532100       2.023600    
 H   -6.723800     -0.5226000     -7.7900000E-02
 H   -4.986500       2.319200       2.636900    
 H   -6.988700       1.295400       1.589100    


%chk=000093742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093742

0 1
O 0.496256 1.705927 -0.045987
O -3.212156 1.667601 -2.130595
O -1.688471 -1.684009 0.036159
N -1.509596 0.218914 -1.275336
N 1.982347 -0.083156 -0.168936
C -0.093819 -0.100923 -1.589408
C 0.127052 0.544711 -2.993024
C -0.888963 1.707538 -3.025983
C 0.816582 0.566513 -0.522735
C -2.033977 1.246361 -2.119051
C 2.382158 -1.428640 -0.652846
C 2.867321 0.569563 0.829322
C 1.810197 -2.582851 0.204852
C 3.935578 1.477360 0.179409
C -2.165871 -0.548000 -0.271175
C 2.276242 -3.968405 -0.295328
C 4.884272 2.100511 1.227528
C 1.723143 -5.128741 0.564016
C 5.949905 3.028899 0.601556
C -3.346670 0.023814 0.437941
C 2.170012 -6.517074 0.058193
C 6.900235 3.644937 1.650847
C -4.359374 -0.865331 0.880906
C -3.406807 1.396738 0.789947
C -5.445209 -0.379635 1.637099
C -4.481939 1.873834 1.566669
C -5.507962 0.991909 1.981517
H 0.022679 -1.193223 -1.601345
H 1.168899 0.876923 -3.131116
H -0.108690 -0.194592 -3.779172
H -0.464789 2.626869 -2.582357
H -1.273855 1.949539 -4.028652
H 2.085969 -1.555639 -1.710181
H 3.488662 -1.467005 -0.639654
H 3.352363 -0.225900 1.427197
H 2.231968 1.172262 1.501532
H 0.704141 -2.530854 0.202397
H 2.128937 -2.440738 1.257338
H 3.419765 2.279025 -0.383205
H 4.527363 0.891993 -0.554553
H 3.386249 -4.014568 -0.300992
H 1.952388 -4.111912 -1.348031
H 5.393169 1.293370 1.796121
H 4.288640 2.675307 1.966583
H 2.052312 -4.991738 1.614042
H 0.616366 -5.073411 0.576164
H 6.540196 2.456875 -0.143490
H 5.441362 3.838741 0.040268
H 1.763440 -7.326861 0.691259
H 3.272994 -6.606711 0.062078
H 1.822703 -6.692612 -0.977576
H 6.338955 4.250945 2.386648
H 7.653910 4.301103 1.178158
H 7.440568 2.856633 2.208565
H -4.278586 -1.927753 0.628288
H -2.606961 2.075608 0.478964
H -6.235362 -1.064774 1.962758
H -4.521631 2.931943 1.846403
H -6.348212 1.370092 2.574907


