%chk=000049864.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049864

0 1
 O   0.9599000       2.381800      9.3699999E-02
 O   0.9229000      -2.404800      9.3599997E-02
 O    2.115700       1.307200       1.765900    
 O    2.094400      -1.348100       1.766300    
 O   -4.761900      4.0300000E-02  8.4500000E-02
 N    3.603300      1.2200000E-02  -2.753400    
 C   0.9323000     -1.1400000E-02  5.5000000E-02
 C    1.572300     -1.8600000E-02  -1.373200    
 C  -0.6114000      2.4000001E-03  6.3500002E-02
 C    3.108800      1.2400000E-02  -1.379500    
 C    1.418400       1.276800      0.7598000    
 C    1.397100      -1.306900      0.7605000    
 C   -1.315200     -1.8600000E-02  -1.140700    
 C   -1.302600      3.6100000E-02   1.274700    
 C   -2.709900     -6.0999999E-03  -1.133800    
 C   -2.697300      4.8700001E-02   1.281700    
 C   -3.401000      2.7600000E-02  7.7399999E-02
 C    1.346500       3.643800      0.6465000    
 C    1.292000      -3.672600      0.6449000    
 C   0.7620000       4.753400     -0.2014000    
 C   0.6918000      -4.773100     -0.2038000    
 C   -5.418100      1.7300000E-02  -1.182300    
 H    1.220400      0.8506000      -1.946500    
 H    1.248000     -0.9094000      -1.929000    
 H    3.517200     -0.8580000     -0.8562000    
 H    3.482000      0.9110000     -0.8791000    
 H  -0.8270000     -4.7499999E-02  -2.108200    
 H  -0.7705000      5.1800001E-02   2.222100    
 H   -3.194000     -2.4400000E-02  -2.104300    
 H   -3.230200      7.4900001E-02   2.228300    
 H    3.296500     -0.8360000      -3.228100    
 H    4.622100     -1.7899999E-02  -2.745100    
 H    2.439500       3.719700      0.6531000    
 H   0.9693000       3.723800       1.672000    
 H   0.9142000      -3.748400       1.670600    
 H    2.383900      -3.763700      0.6510000    
 H    1.115700       4.675400      -1.234700    
 H  -0.3300000       4.679200     -0.2331000    
 H    1.038500       5.734900      0.1937000    
 H  -0.3992000      -4.683600     -0.2349000    
 H    1.046100      -4.699000      -1.237200    
 H   0.9546000      -5.758700      0.1903000    
 H   -5.187500      0.9115000      -1.771200    
 H   -5.204100     -0.9070000      -1.729600    
 H   -6.495700      3.1599998E-02 -0.9885000    


%chk=000049864-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049864

0 1
O 0.851827 2.352808 0.265605
O 1.329594 -2.437065 0.043423
O 2.596774 1.171643 1.244345
O 1.141396 -1.302791 2.061323
O -4.915502 0.406225 0.084572
N 3.449793 -0.503490 -2.937746
C 0.862763 -0.046817 -0.071879
C 1.482266 -0.165779 -1.501226
C -0.683628 0.073339 -0.098728
C 3.024001 -0.242168 -1.546285
C 1.529869 1.184034 0.591921
C 1.155053 -1.286615 0.811648
C -1.437122 -0.033624 -1.287377
C -1.383835 0.278435 1.123231
C -2.848294 0.070591 -1.277644
C -2.781862 0.384513 1.151504
C -3.523661 0.283418 -0.053146
C 1.472620 3.625554 0.751914
C 1.467708 -3.713257 0.813470
C 0.558963 4.758206 0.297026
C 1.634497 -4.829062 -0.212549
C -5.723523 0.315965 -1.133283
H 1.157520 0.699164 -2.106880
H 1.076661 -1.081658 -1.968096
H 3.376568 -1.004373 -0.814414
H 3.462231 0.722495 -1.233772
H -0.939325 -0.192105 -2.247836
H -0.822843 0.342087 2.062567
H -3.396643 -0.012253 -2.220869
H -3.322367 0.543788 2.089431
H 3.169055 -1.426810 -3.285411
H 4.441784 -0.318478 -3.114351
H 2.489858 3.698593 0.325440
H 1.564621 3.566065 1.851328
H 0.563088 -3.837712 1.435646
H 2.338539 -3.617936 1.486538
H 0.472433 4.777792 -0.802735
H -0.452068 4.641842 0.722703
H 0.970615 5.727843 0.632222
H 0.759480 -4.882330 -0.882650
H 2.537263 -4.669117 -0.826945
H 1.735251 -5.800379 0.305245
H -5.462425 1.118993 -1.850064
H -5.605518 -0.670330 -1.623396
H -6.763676 0.441354 -0.798520


