%chk=000040646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040646

0 1
 O   0.4476000      0.6272000      -1.112100    
 O   -1.791000       1.451500      -2.584000    
 O  -0.2221000      -2.417100      0.1190000    
 O    1.045700      -2.635900      -1.789700    
 N   -3.540800     -9.5100001E-02  0.2894000    
 C    2.078000       2.650900      3.1800002E-02
 C    2.306900       1.195200      0.2730000    
 C   -1.925700      0.5634000      -1.470800    
 C    1.483200      0.2339000     -0.3074000    
 C   -3.325500      0.7468000     -0.8796000    
 C  -0.8055000      0.8577000     -0.4757000    
 C   -4.857900      0.1400000      0.8650000    
 C    1.709500      -1.120100     -7.3299997E-02
 C    3.363700      0.7996000       1.093200    
 C    2.766100      -1.515500      0.7470000    
 C    1.743800       3.415100       1.326100    
 C    3.266700       3.321800     -0.6807000    
 C    3.593200     -0.5557000       1.330300    
 C   -4.999400       1.600900       1.283200    
 C   -5.066400     -0.7927000       2.053900    
 C    3.036500      -2.959500       1.019700    
 C   0.8421000      -2.121100     -0.6852000    
 C   -1.148600      -3.391200     -0.3731000    
 H    1.224600       2.800500     -0.6381000    
 H   -1.805000     -0.4536000      -1.862600    
 H   -3.418700       1.813000     -0.6476000    
 H   -4.073000      0.5308000      -1.653700    
 H  -0.9053000      0.2364000      0.4217000    
 H  -0.8458000       1.909600     -0.1711000    
 H   -5.635000     -9.2900001E-02  0.1256000    
 H   -3.441900      -1.075900      2.9200001E-02
 H    4.021500       1.528400       1.558700    
 H    2.583300       3.419800       2.029400    
 H    1.492600       4.457600       1.102100    
 H   0.8832000       2.963900       1.832600    
 H    4.169700       3.323500     -6.0899999E-02
 H    3.030200       4.363300     -0.9247000    
 H    3.502600       2.802900      -1.616500    
 H    4.420800     -0.8460000       1.972100    
 H   -5.884600       1.729900       1.917200    
 H   -5.141200       2.270100      0.4288000    
 H   -4.135000       1.945700       1.862400    
 H   -4.328700     -0.6080000       2.843100    
 H   -6.063000     -0.6533000       2.486600    
 H   -4.982200      -1.842500       1.751100    
 H    3.910600      -3.095700       1.665900    
 H    2.182600      -3.420900       1.526400    
 H    3.237500      -3.495800      8.6400002E-02
 H   -2.483400       1.222300      -3.227300    
 H  -0.6499000      -4.357600     -0.4914000    
 H   -1.953100      -3.495900      0.3596000    
 H   -1.579100      -3.059100      -1.322500    


%chk=000040646-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040646

0 1
O 0.293511 0.270235 -0.711291
O -1.411127 2.752312 -1.373332
O -0.411821 -1.995229 0.877276
O 1.088319 -3.457899 -0.132169
N -3.806217 0.044999 -0.272360
C 2.113205 2.551558 -0.496653
C 2.420380 1.176869 0.103461
C -1.837717 1.389622 -0.992951
C 1.501458 0.095843 0.010929
C -3.281384 1.417172 -0.436861
C -0.830680 0.891993 0.035334
C -5.189090 -0.063627 0.276302
C 1.819443 -1.201036 0.506373
C 3.660786 0.914655 0.734001
C 3.089672 -1.453101 1.104563
C 2.097722 3.659148 0.590296
C 3.124020 2.900169 -1.622453
C 3.988595 -0.366512 1.222904
C -5.214624 0.315044 1.772969
C -5.690986 -1.505911 0.064247
C 3.480616 -2.827939 1.618015
C 0.843148 -2.328084 0.355318
C -1.490215 -2.997066 0.699577
H 1.110340 2.512085 -0.957542
H -1.794148 0.713727 -1.876101
H -3.278061 1.928696 0.543042
H -3.910980 2.042118 -1.122394
H -1.281937 0.123662 0.685115
H -0.467784 1.746602 0.639037
H -5.882675 0.628819 -0.266816
H -3.730122 -0.478948 -1.157565
H 4.393893 1.724999 0.825853
H 3.088121 3.769347 1.071550
H 1.829279 4.632394 0.139596
H 1.360630 3.436023 1.383472
H 4.156903 2.972508 -1.232343
H 2.865836 3.873692 -2.079370
H 3.112743 2.131636 -2.415907
H 4.962752 -0.534645 1.696144
H -6.236311 0.204169 2.179675
H -4.901307 1.360859 1.940849
H -4.532112 -0.344008 2.339362
H -5.040252 -2.220382 0.601738
H -6.721241 -1.620845 0.444669
H -5.694226 -1.779860 -1.008673
H 4.469781 -2.792962 2.104779
H 2.751050 -3.214837 2.353823
H 3.514841 -3.563001 0.795191
H -1.924649 3.049450 -2.166537
H -1.421025 -3.760198 1.493624
H -2.421789 -2.416752 0.778959
H -1.400165 -3.486961 -0.284231


