%chk=000049670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049670

0 1
 O  -0.1432000      4.5100000E-02  0.1679000    
 O    4.609600      0.1800000      0.3190000    
 O  -0.1195000      -3.944300     -0.6386000    
 N    1.206100       2.257800     -0.3069000    
 C    2.148000       1.573700      0.5394000    
 C    2.214000      0.1093000      0.2428000    
 C    1.043600     -0.6287000      6.3000001E-02
 C    1.113400      -1.990600     -0.2110000    
 C   -1.409800      -1.978100     -0.2695000    
 C    1.564900       2.119700      -1.726400    
 C    1.113500       3.683900      4.0500000E-02
 C    3.454100     -0.5218000      0.1471000    
 C   -1.322500     -0.6580000     -8.8999998E-03
 C  -0.1361000      -2.744400     -0.3941000    
 C    2.353900      -2.626700     -0.3085000    
 C    3.523700      -1.887600     -0.1283000    
 C   -2.669400      -2.777600     -0.4390000    
 C   -2.503600      0.2064000      0.1259000    
 C   0.5689000       2.842800      -2.617300    
 C   0.6603000       3.870300       1.478600    
 C   -3.151300      -3.347300      0.8802000    
 C   -3.098600      0.3851000       1.375100    
 C   -3.030100      0.8487000     -0.9951000    
 C    5.126500      0.2615000       1.645500    
 C   -4.219600       1.205100       1.503200    
 C   -4.151100       1.668800     -0.8669000    
 C   -4.745700       1.847000      0.3822000    
 H    1.864400       1.631500       1.596900    
 H    3.132300       2.050200      0.4561000    
 H    1.555100       1.071100      -2.041100    
 H    2.573700       2.505000      -1.924200    
 H    2.063800       4.207300     -0.1226000    
 H   0.3495000       4.185400     -0.5613000    
 H    2.429000      -3.689200     -0.5221000    
 H    4.487600      -2.383700     -0.2050000    
 H   -2.522200      -3.588300      -1.162300    
 H   -3.464700      -2.158100     -0.8698000    
 H   0.7048000       2.515200      -3.654500    
 H   0.7137000       3.927500      -2.618100    
 H  -0.4664000       2.616100      -2.340900    
 H   0.3821000       4.917400       1.643700    
 H    1.451300       3.640700       2.199000    
 H  -0.2190000       3.258600       1.708800    
 H   -4.067400      -3.927200      0.7265000    
 H   -3.374700      -2.562000       1.608300    
 H   -2.404700      -4.015900       1.322200    
 H   -2.697900     -0.1054000       2.259000    
 H   -2.576700      0.7203000      -1.975000    
 H    5.422200     -0.7312000       1.999500    
 H    4.390100      0.6976000       2.327800    
 H    6.010900      0.9042000       1.629300    
 H   -4.682100       1.344700       2.475800    
 H   -4.560600       2.169100      -1.739600    
 H   -5.618300       2.485900      0.4820000    


%chk=000049670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049670

0 1
O -0.411554 -0.019703 0.495542
O 4.328035 0.553774 0.495666
O -0.156125 -4.116923 -0.143548
N 1.266974 2.522010 -0.446230
C 1.775881 1.753638 0.738902
C 1.959031 0.267955 0.483528
C 0.850963 -0.607571 0.375732
C 0.972084 -2.006822 0.176460
C -1.541086 -2.155875 0.115330
C 2.150226 2.357302 -1.637683
C 1.093419 3.961855 -0.095029
C 3.244969 -0.330214 0.391748
C -1.586670 -0.788116 0.340307
C -0.233762 -2.852761 0.048049
C 2.275634 -2.554153 0.090468
C 3.406084 -1.734412 0.198943
C -2.761912 -3.023097 -0.128684
C -2.760043 0.118131 0.393948
C 1.507957 2.857919 -2.945037
C 0.064668 4.224015 1.021689
C -3.154343 -3.875720 1.108203
C -4.000167 -0.269972 0.970168
C -2.627243 1.434998 -0.133588
C 5.684291 0.000833 0.421234
C -5.089312 0.626892 0.992741
C -3.721175 2.324060 -0.112898
C -4.958548 1.923633 0.444708
H 1.029154 1.871535 1.542718
H 2.744044 2.171157 1.100416
H 2.358088 1.277838 -1.743336
H 3.139592 2.860468 -1.481641
H 2.076543 4.421813 0.193756
H 0.754823 4.482868 -1.007940
H 2.362209 -3.634293 -0.064639
H 4.403435 -2.176642 0.131005
H -2.503062 -3.724906 -0.943408
H -3.616912 -2.413626 -0.468332
H 2.139072 2.573808 -3.807419
H 1.391104 3.956101 -2.971787
H 0.511197 2.400250 -3.077010
H -0.134661 5.308975 1.097013
H 0.416533 3.886500 2.012452
H -0.887357 3.709719 0.802947
H -4.035802 -4.502703 0.880623
H -3.396080 -3.246604 1.985288
H -2.319500 -4.541835 1.382912
H -4.106499 -1.255529 1.431261
H -1.662072 1.744895 -0.550398
H 5.866052 -0.488627 -0.554464
H 5.870685 -0.718263 1.241452
H 6.349785 0.869465 0.530459
H -6.036498 0.315731 1.446834
H -3.609327 3.330344 -0.532058
H -5.807020 2.616785 0.460927


