%chk=000017003.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017003

0 1
 O   0.2270000      0.3865000      0.5255000    
 O  -0.2825000      0.5396000      -1.749700    
 O    2.232900       2.259000      0.1459000    
 O   0.7801000      -2.304600      0.1770000    
 N   -2.947900      0.1050000     -0.5067000    
 C   -1.956400       1.078400     -5.3900000E-02
 C   -2.597600      -1.237100     -4.1800000E-02
 C   -4.282200      0.4760000     -3.5700001E-02
 C   -2.312800       2.461100     -0.5819000    
 C  -0.5971000      0.6425000     -0.5709000    
 C   -3.584500      -2.271300     -0.5562000    
 C   -4.350200      0.4690000       1.482100    
 C    1.511100     -2.4599999E-02  0.1603000    
 C    2.488000      0.9311000     -2.0000000E-02
 C    1.755400      -1.371100     -5.2999998E-03
 C    3.770600      0.5208000     -0.3836000    
 C    3.038100      -1.781400     -0.3689000    
 C    4.045700     -0.8354000     -0.5580000    
 C    2.428200       2.798400       1.451700    
 C   0.6344000      -2.841700       1.490100    
 H   -1.876900       1.132900       1.038100    
 H   -1.641900      -1.537000     -0.4834000    
 H   -2.465100      -1.323600       1.042100    
 H   -4.596600       1.451800     -0.4209000    
 H   -5.045200     -0.1976000     -0.4417000    
 H   -2.588600       2.438200      -1.643000    
 H   -3.122600       2.932300     -1.6200000E-02
 H   -1.447100       3.130000     -0.5015000    
 H   -4.536300      -2.248400     -1.7100001E-02
 H   -3.779400      -2.150400      -1.627600    
 H   -3.169600      -3.275800     -0.4141000    
 H   -4.166300     -0.5095000       1.932600    
 H   -3.707900       1.212900       1.959500    
 H   -5.372900      0.7365000       1.777100    
 H    4.560200       1.252100     -0.5336000    
 H    3.259500      -2.836200     -0.5072000    
 H    5.044200      -1.155000     -0.8415000    
 H    1.773100       2.302500       2.175100    
 H    2.176500       3.862000       1.424100    
 H    3.473900       2.693500       1.757500    
 H   0.3911000      -2.049500       2.205200    
 H  -0.1876000      -3.562700       1.475300    
 H    1.549100      -3.358500       1.797000    


%chk=000017003-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017003

0 1
O 0.457562 0.296955 0.562073
O -0.275112 0.290728 -1.677478
O 2.468501 2.295891 0.001118
O 1.117181 -2.456870 0.177621
N -2.955143 0.046402 -0.324466
C -1.850585 0.907936 0.163253
C -2.734398 -1.382182 0.032599
C -4.320792 0.559723 -0.051778
C -2.030163 2.402194 -0.206942
C -0.529451 0.454414 -0.480308
C -3.736003 -2.343841 -0.629990
C -4.741122 0.657510 1.442074
C 1.772993 -0.077288 0.146537
C 2.746884 0.919581 -0.114485
C 2.082647 -1.449591 -0.032129
C 4.019167 0.538349 -0.597938
C 3.355307 -1.823176 -0.515777
C 4.311196 -0.826235 -0.811931
C 2.050238 2.768002 1.338825
C 0.636026 -2.596466 1.570203
H -1.705565 0.827764 1.269009
H -1.720891 -1.654941 -0.317944
H -2.739778 -1.541376 1.142796
H -4.416774 1.551960 -0.526264
H -5.030702 -0.095256 -0.586798
H -2.220844 2.500699 -1.289178
H -2.862689 2.857417 0.355143
H -1.111940 2.965735 0.036884
H -4.755846 -2.250926 -0.215301
H -3.779185 -2.156680 -1.717356
H -3.408425 -3.387491 -0.471996
H -4.725462 -0.330764 1.936809
H -4.075900 1.333602 2.010984
H -5.769930 1.055557 1.519676
H 4.749384 1.324772 -0.809633
H 3.564480 -2.886518 -0.664083
H 5.294059 -1.115339 -1.198573
H 1.126653 2.263634 1.672906
H 1.876783 3.848361 1.219888
H 2.859180 2.596695 2.074875
H 0.186012 -1.656045 1.934739
H -0.123072 -3.392671 1.535420
H 1.469419 -2.899528 2.232717


