%chk=000100434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100434

0 1
 O   -4.666300       2.026000      0.1047000    
 N    1.237500      -1.467900     -7.8500003E-02
 N  -3.8300000E-02  -1.869700     -9.5500000E-02
 N   0.1435000      0.4158000     -1.7000000E-03
 C    3.629400      -1.781900      0.4152000    
 C    2.358500      -2.370200     -0.2154000    
 C    3.797800     -0.2968000      0.1517000    
 C    2.662100      0.5258000     -2.1199999E-02
 C    1.352300     -0.1056000     -2.7200000E-02
 C    5.071000      0.2837000      0.1663000    
 C  -0.6642000     -0.6903000     -3.9500002E-02
 C    2.814800       1.904600     -0.1897000    
 C   -2.094800     -0.5739000     -2.7400000E-02
 C    5.215500       1.660200     -9.4999997E-03
 C    4.091600       2.467500     -0.1864000    
 C   -2.692600      0.6852000      3.3399999E-02
 C   -2.888300      -1.720500     -7.5199999E-02
 C   -4.082800      0.7977000      4.6300001E-02
 C   -4.278500      -1.608100     -6.2199999E-02
 C   -4.875700     -0.3490000     -1.6000000E-03
 C   -6.092500       2.067700      0.1135000    
 H    4.498700      -2.338000      4.5299999E-02
 H    3.589800      -1.918700       1.503600    
 H    2.497600      -2.526000      -1.291500    
 H    2.100100      -3.326700      0.2497000    
 H    5.954600     -0.3300000      0.3196000    
 H    1.951700       2.550600     -0.3279000    
 H    6.206100       2.105800     -1.5000000E-03
 H    4.210800       3.539100     -0.3194000    
 H   -2.096700       1.594200      7.1699999E-02
 H   -2.458700      -2.717900     -0.1228000    
 H   -4.895400      -2.501300     -9.9399999E-02
 H   -5.960200     -0.3343000      5.1000002E-03
 H   -6.503800       1.580400       1.004000    
 H   -6.512800       1.662300     -0.8132000    
 H   -6.384700       3.121800      0.1624000    


%chk=000100434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100434

0 1
O -4.695758 2.049366 0.129232
N 1.310186 -1.500303 -0.073027
N -0.016936 -1.910513 -0.111025
N 0.148246 0.408972 0.021081
C 3.677539 -1.783894 0.476609
C 2.455509 -2.403914 -0.241637
C 3.861020 -0.296966 0.173883
C 2.708749 0.528319 -0.005196
C 1.399333 -0.119893 -0.005618
C 5.137741 0.305023 0.145019
C -0.688939 -0.708738 -0.041165
C 2.843495 1.925829 -0.191258
C -2.157013 -0.623474 -0.031053
C 5.274712 1.700096 -0.047132
C 4.126002 2.511127 -0.209438
C -2.776738 0.644094 0.045667
C -2.953795 -1.801574 -0.100352
C -4.187714 0.740360 0.051896
C -4.355303 -1.690033 -0.091927
C -4.989789 -0.426079 -0.016417
C -6.150247 2.209116 0.136977
H 4.583353 -2.351189 0.198623
H 3.542047 -1.907955 1.570487
H 2.654047 -2.536589 -1.323054
H 2.191257 -3.384760 0.184847
H 6.031158 -0.316643 0.279447
H 1.938920 2.527948 -0.322656
H 6.272424 2.151956 -0.068734
H 4.232787 3.591544 -0.353128
H -2.167564 1.550286 0.100267
H -2.463502 -2.777457 -0.159421
H -4.972641 -2.593929 -0.144975
H -6.082087 -0.366116 -0.011773
H -6.608462 1.708013 1.012467
H -6.605764 1.815529 -0.793180
H -6.319173 3.294040 0.201464


