%chk=000004839.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004839

0 1
 O   0.8683000       1.019800     -0.3727000    
 O   0.2738000     -0.8509000      -1.575300    
 N    4.236500     -0.5030000     -8.6000003E-03
 C    2.255600      0.8420000     -0.6378000    
 C    2.989200       2.126400     -0.2648000    
 C    2.786400     -0.3499000      0.1640000    
 C    4.495900       1.931400     -0.3719000    
 C    4.953300      0.7059000      0.4212000    
 C    4.719100      -1.672600      0.7252000    
 C    6.195300      -1.915900      0.4610000    
 C   -1.114700     -0.1056000      0.2935000    
 C   5.8100000E-02 -4.3600000E-02 -0.6802000    
 C   -1.965900       1.157000      0.3135000    
 C   -1.961000      -1.361200      0.1263000    
 C   -2.609600       1.508000       1.482100    
 C   -3.027100      -1.333800     -0.7483000    
 C   -2.067300       1.910300     -0.8375000    
 C   -1.634600      -2.485800      0.8549000    
 C   -3.389700       2.664300       1.500300    
 C   -3.802300      -2.483300     -0.9011000    
 C   -2.847300       3.066500     -0.8194000    
 C   -2.409700      -3.635400      0.7020000    
 C   -3.508500       3.443500      0.3496000    
 C   -3.493600      -3.634100     -0.1760000    
 H    2.390700      0.6646000      -1.713500    
 H    2.721400       2.424500      0.7573000    
 H    2.661700       2.949000     -0.9115000    
 H    2.523200     -0.2306000       1.224700    
 H    2.294300      -1.271700     -0.1658000    
 H    4.775700       1.813700      -1.426600    
 H    5.010800       2.825500     -2.4000001E-03
 H    6.029700      0.6181000      0.2430000    
 H    4.809800      0.8865000       1.494700    
 H    4.545400      -1.577800       1.804500    
 H    4.171800      -2.561200      0.3862000    
 H  -0.6338000     -0.1723000       1.282900    
 H    6.427800      -1.878700     -0.6087000    
 H    6.838300      -1.205700      0.9896000    
 H    6.470900      -2.913900      0.8201000    
 H   -2.523300      0.9066000       2.382000    
 H   -3.284200     -0.4677000      -1.346800    
 H   -1.577700       1.632000      -1.765300    
 H  -0.7910000      -2.497500       1.538300    
 H   -3.905000       2.957500       2.410200    
 H   -4.643000      -2.484500      -1.588800    
 H   -2.943300       3.671300      -1.716500    
 H   -2.168600      -4.531900       1.265700    
 H   -4.116800       4.343100      0.3633000    
 H   -4.096100      -4.529600     -0.2961000    


%chk=000004839-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004839

0 1
O 0.977809 0.785309 0.842731
O 0.241045 0.427323 -1.341646
N 4.384376 -0.535319 -0.138369
C 2.402273 0.850578 0.365250
C 3.176046 1.651445 1.416016
C 2.948632 -0.583850 0.229274
C 4.686343 1.610711 1.081828
C 5.176141 0.157826 0.908187
C 4.904591 -1.881368 -0.494845
C 6.279112 -1.841948 -1.187934
C -1.383137 0.470510 0.548902
C -0.005127 0.559106 -0.119850
C -2.386462 1.498914 0.001293
C -1.894952 -0.981021 0.444942
C -3.352847 2.026842 0.896176
C -2.367111 -1.511502 -0.781637
C -2.414243 1.911786 -1.355097
C -1.879104 -1.810276 1.593570
C -4.329297 2.943476 0.449569
C -2.819973 -2.846675 -0.853149
C -3.389052 2.833473 -1.800819
C -2.335019 -3.146547 1.523489
C -4.351001 3.351224 -0.904459
C -2.807795 -3.668886 0.298354
H 2.416387 1.340993 -0.624732
H 2.997071 1.196846 2.410561
H 2.804522 2.691249 1.454941
H 2.776117 -1.122336 1.198069
H 2.393544 -1.114344 -0.563853
H 4.878672 2.163072 0.142407
H 5.262587 2.105154 1.886322
H 6.238667 0.159762 0.610651
H 5.101545 -0.379276 1.892434
H 4.957021 -2.550012 0.404178
H 4.171600 -2.337052 -1.187366
H -1.217411 0.688607 1.617689
H 6.249218 -1.154785 -2.051699
H 7.084876 -1.511365 -0.508463
H 6.547913 -2.850918 -1.550936
H -3.343322 1.713018 1.947504
H -2.380532 -0.880890 -1.676310
H -1.665619 1.523860 -2.053587
H -1.508006 -1.409673 2.545124
H -5.067853 3.340178 1.155447
H -3.184180 -3.246241 -1.806427
H -3.395000 3.147078 -2.851004
H -2.321414 -3.775550 2.420820
H -5.105759 4.064757 -1.253834
H -3.162991 -4.703960 0.240785


