%chk=000050586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050586

0 1
 O  -0.1344000      2.9400000E-02  -1.391500    
 O   -2.414300      -2.788500       1.619200    
 O    1.542500      0.2327000       1.563100    
 O   -7.097800       1.279200     -0.1994000    
 O   -5.954200       3.213400     -0.4745000    
 N    2.217600     -0.8801000     -0.3832000    
 N   -1.342700      -1.306000      0.1231000    
 N    4.232900     -0.2393000      -1.470700    
 C    1.068900      -1.750300     -0.3618000    
 C    1.021900      -2.557600      0.9157000    
 C  -0.2428000      -3.381500      0.8979000    
 C  -0.1727000     -0.8921000     -0.5693000    
 C   -1.447800      -2.474400      0.9208000    
 C    3.176600     -0.9866000      -1.388700    
 C    2.336500      7.2700001E-02  0.6402000    
 C   -2.517000     -0.4634000      1.4800000E-02
 C    3.535100      0.9347000      0.5625000    
 C    4.433000      0.7412000     -0.4904000    
 C    2.976900      -2.037800      -2.454500    
 C   -2.362800      0.9031000     -0.1752000    
 C   -3.779400      -1.034400      0.1013000    
 C    3.763700       1.923800       1.525900    
 C    5.569400       1.554400     -0.5675000    
 C   -3.492700       1.714300     -0.2803000    
 C   -4.909200     -0.2232000     -4.0000002E-03
 C    4.900000       2.726400       1.435900    
 C   -4.765800       1.151200     -0.1947000    
 C    5.802500       2.542200      0.3908000    
 C   -5.944000       1.996600     -0.3054000    
 H    1.056400      -2.454100      -1.196600    
 H    1.026100      -1.957800       1.829500    
 H    1.895000      -3.219100      0.9717000    
 H  -0.2733000      -4.027400       1.782700    
 H  -0.3032000      -4.023800      1.2400000E-02
 H    2.050300      -1.850700      -3.004600    
 H    2.958200      -3.035300      -2.006400    
 H    3.804700      -2.006500      -3.170300    
 H   -1.402400       1.407100     -0.1639000    
 H   -3.954000      -2.102800      0.1615000    
 H    3.072200       2.082900       2.348500    
 H    6.282700       1.422600      -1.377700    
 H   -3.361200       2.785400     -0.4104000    
 H   -5.881100     -0.7060000      4.8999999E-02
 H    5.081900       3.495400       2.181100    
 H    6.687800       3.167400      0.3209000    
 H   -7.891000       1.851400     -0.2745000    


%chk=000050586-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050586

0 1
O -0.282498 -0.238939 -1.564956
O -2.517929 -2.913109 1.553909
O 1.106001 0.330427 1.100058
O -6.969387 1.718476 -0.427995
O -5.663932 3.470415 0.356498
N 2.233261 -0.969507 -0.482709
N -1.370256 -1.462639 0.112792
N 4.384046 -0.361900 -1.370230
C 1.080460 -1.908881 -0.420434
C 1.072325 -2.735744 0.878545
C -0.237701 -3.540379 0.943159
C -0.224902 -1.110738 -0.665175
C -1.467560 -2.640252 0.922346
C 3.339738 -1.176375 -1.338211
C 2.144035 0.167862 0.381236
C -2.501115 -0.540950 0.073662
C 3.302667 1.063700 0.349346
C 4.392447 0.764537 -0.529244
C 3.339410 -2.370083 -2.265390
C -2.288505 0.797302 0.479120
C -3.773151 -0.983149 -0.349101
C 3.342006 2.217702 1.175958
C 5.516182 1.635703 -0.562448
C -3.364226 1.701669 0.452342
C -4.848913 -0.075172 -0.370651
C 4.458050 3.067602 1.132838
C -4.648093 1.271150 0.027020
C 5.545997 2.772737 0.260905
C -5.752918 2.265276 0.016978
H 1.169586 -2.594291 -1.280789
H 1.146203 -2.062030 1.748368
H 1.943190 -3.415225 0.894107
H -0.301746 -4.142091 1.863838
H -0.305875 -4.246827 0.090165
H 2.518336 -2.314724 -3.004247
H 3.253234 -3.329780 -1.722634
H 4.294934 -2.360654 -2.808275
H -1.291411 1.109345 0.804283
H -3.921001 -2.024509 -0.646606
H 2.489980 2.418863 1.833163
H 6.337743 1.391932 -1.242300
H -3.232306 2.744127 0.758534
H -5.842864 -0.395602 -0.693015
H 4.494402 3.959409 1.766958
H 6.412851 3.441906 0.231873
H -7.661794 2.432212 -0.410589


