%chk=000003814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003814

0 1
 O    1.450300      -1.650200       1.266400    
 O    3.322200     -0.5716000      -1.606600    
 O    3.586400      -3.236200      0.7046000    
 O    5.042000      -2.384300     -0.8288000    
 O   -5.102200       1.245200     -9.7099997E-02
 N    1.481000      0.4867000      0.2987000    
 N  -0.5093000      -1.725000      0.1205000    
 N   -3.893200       3.250500     -0.1200000    
 C    2.306200     -0.6815000      0.6367000    
 C    2.823600      -1.432000     -0.6041000    
 C   0.7811000      -2.344100      0.2174000    
 C    1.603700      -2.209400      -1.061900    
 C   0.1136000      0.6500000      0.1907000    
 C  -0.8438000     -0.4041000      0.1333000    
 C  -0.4617000       1.970400      8.5199997E-02
 C   -2.230700     -7.9999998E-04  4.5699999E-02
 C    3.366000     -0.3748000       1.707000    
 C    1.918900       1.809700      0.1072000    
 C   -1.747100      -2.345600      2.4599999E-02
 C   0.8004000       2.698400      4.1099999E-02
 C   -1.802100       2.346000      2.2399999E-02
 C   -2.717500       1.302500      1.5300000E-02
 C   -2.786000      -1.362400     -9.3000000E-03
 C    3.949500      -2.379700     -0.2812000    
 C   -2.504400       3.659600     -7.1800001E-02
 C    3.225100       2.330700     -1.2100000E-02
 C   -4.060000       1.870000     -7.3299997E-02
 C   -2.044000      -3.721500     -3.7799999E-02
 C    1.049400       4.088700     -9.1600001E-02
 C   -4.119700      -1.834700     -0.1032000    
 C    3.424700       3.706800     -0.1505000    
 C    2.351200       4.579000     -0.1805000    
 C   -3.373500      -4.133100     -0.1279000    
 C   -4.399700      -3.203300     -0.1591000    
 H   0.6648000      -3.387400      0.5216000    
 H    1.856500      -3.198200      -1.463000    
 H    1.061100      -1.689700      -1.861400    
 H    3.647900      -1.267700       2.276400    
 H    4.282200      4.5200001E-02   1.286100    
 H    2.977500      0.3301000       2.452400    
 H    3.434100      -1.089800      -2.422100    
 H   -2.346200       4.281400      0.8125000    
 H   -2.261200       4.198000     -0.9910000    
 H    4.093100       1.681100     -1.8700000E-02
 H   -1.254900      -4.467400     -1.8900000E-02
 H   0.2198000       4.789700     -0.1407000    
 H   -4.953900      -1.142700     -0.1356000    
 H   -4.667700       3.903700     -0.1836000    
 H    4.436600       4.093400     -0.2388000    
 H    2.520100       5.646600     -0.2882000    
 H   -3.604200      -5.194000     -0.1754000    
 H    4.306900      -3.862500      0.9298000    
 H   -5.431100      -3.537500     -0.2307000    


%chk=000003814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003814

0 1
O 1.456468 -1.657500 1.290039
O 3.095641 -0.436185 -1.747366
O 3.640690 -3.508705 0.124118
O 5.130196 -1.976204 -0.787208
O -5.151085 1.200476 -0.295940
N 1.525040 0.560692 0.344965
N -0.652109 -1.835243 0.217722
N -3.813109 3.153339 -0.352820
C 2.318141 -0.659033 0.656522
C 2.749745 -1.391371 -0.716119
C 0.684321 -2.387388 0.238772
C 1.463333 -2.158641 -1.093363
C 0.116117 0.584982 0.169292
C -0.846420 -0.448983 0.134295
C -0.318863 1.942661 0.009553
C -2.248156 -0.175755 0.007932
C 3.464609 -0.399842 1.640706
C 2.001418 1.897851 0.224614
C -1.906286 -2.479644 0.164674
C 0.872827 2.772255 0.039211
C -1.699151 2.217531 -0.124529
C -2.656047 1.179606 -0.114715
C -2.924564 -1.468340 0.034339
C 3.957968 -2.299453 -0.473733
C -2.401420 3.556750 -0.283878
C 3.314168 2.419340 0.236057
C -4.020147 1.770472 -0.260245
C -2.216028 -3.854132 0.209179
C 1.067277 4.167204 -0.097762
C -4.285384 -1.855621 -0.039817
C 3.485244 3.813682 0.098003
C 2.376108 4.686378 -0.062056
C -3.579791 -4.214070 0.136355
C -4.600133 -3.229184 0.013469
H 0.652689 -3.442062 0.547219
H 1.676273 -3.113277 -1.595902
H 0.883912 -1.521068 -1.780130
H 3.695605 -1.355308 2.138828
H 4.378298 -0.041377 1.142268
H 3.163791 0.329931 2.407862
H 4.088266 -0.373344 -1.802657
H -2.208345 4.230778 0.575952
H -2.080154 4.084096 -1.205730
H 4.195712 1.783892 0.330333
H -1.441263 -4.622803 0.300984
H 0.212787 4.837312 -0.239209
H -5.056499 -1.084671 -0.136854
H -4.589641 3.803655 -0.459633
H 4.500219 4.226262 0.103975
H 2.543480 5.763229 -0.168745
H -3.855713 -5.274097 0.174395
H 4.468652 -4.040302 0.279476
H -5.646887 -3.546574 -0.041998


