%chk=000004556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004556

0 1
 O  -0.5275000     -0.7704000     -0.5011000    
 O    1.490700       2.927800       1.673700    
 N    2.850000       1.271100      0.8739000    
 C   0.4242000       1.107300      0.5780000    
 C   0.5790000     -6.5499999E-02 -6.3400000E-02
 C    1.919600     -0.6367000     -0.3051000    
 C    3.031400      5.8100000E-02  0.1922000    
 C  -0.9073000       1.746200      0.8530000    
 C    1.620800       1.853300       1.088600    
 C    2.152900      -1.822800      -1.018000    
 C    4.332900     -0.4231000      1.0800000E-02
 C   -1.325300       2.655500     -0.2602000    
 C    3.452700      -2.305700      -1.203000    
 C  -0.9851000      -1.653800      0.5026000    
 C    4.540800      -1.609400     -0.6859000    
 C   -2.452800       2.595000     -0.9949000    
 C   -2.163200      -2.422000     -8.5000005E-03
 C   -2.815600       3.541900      -2.103500    
 C   -3.478900       1.525300     -0.7303000    
 C   -3.404400      -2.483500      0.5099000    
 C   -4.463900      -3.324700     -0.1524000    
 C   -3.871000      -1.763600       1.743500    
 H   -1.655500      0.9798000       1.058900    
 H  -0.8699000       2.330100       1.781000    
 H    3.677100       1.752500       1.215900    
 H    1.325700      -2.390400      -1.437600    
 H    5.187800      0.1216000      0.4029000    
 H  -0.6306000       3.465000     -0.4832000    
 H  -0.2031000      -2.387500      0.7399000    
 H   -1.207100      -1.122000       1.430400    
 H    3.612000      -3.228600      -1.753500    
 H    5.548400      -1.986900     -0.8313000    
 H   -1.958600      -2.999400     -0.9096000    
 H   -2.963800       2.993500      -3.039400    
 H   -2.028600       4.284200      -2.272300    
 H   -3.737100       4.081000      -1.861500    
 H   -3.579000       1.278400      0.3298000    
 H   -4.472900       1.860100      -1.049100    
 H   -3.237000      0.6189000      -1.294200    
 H   -4.829200      -4.089000      0.5414000    
 H   -5.308900      -2.698400     -0.4570000    
 H   -4.092600      -3.837900      -1.045700    
 H   -4.193000      -2.486900       2.500100    
 H   -3.110600      -1.129100       2.201300    
 H   -4.722900      -1.119500       1.500500    


%chk=000004556-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004556

0 1
O -0.687330 -0.861256 -0.209528
O 1.482287 3.140916 1.484295
N 2.753655 1.386788 0.634212
C 0.315460 1.173171 0.652743
C 0.459030 -0.086512 0.091784
C 1.761518 -0.641019 -0.259873
C 2.926519 0.136676 0.037264
C -1.031074 1.804946 0.958253
C 1.511756 1.983931 0.952369
C 1.923164 -1.898793 -0.903974
C 4.219534 -0.358776 -0.279473
C -1.357820 2.926951 -0.024946
C 3.202518 -2.386107 -1.218719
C -1.038449 -1.876850 0.856149
C 4.352559 -1.614056 -0.898184
C -2.240908 2.872310 -1.062839
C -2.116501 -2.760413 0.306532
C -2.470409 4.091844 -1.943352
C -3.057620 1.648938 -1.444457
C -3.417827 -2.818518 0.716369
C -4.388922 -3.784496 0.058961
C -4.022315 -1.971670 1.821523
H -1.814092 1.030214 0.941147
H -0.986147 2.243108 1.973803
H 3.573966 1.958149 0.859261
H 1.024648 -2.463432 -1.171942
H 5.106331 0.242581 -0.046057
H -0.794904 3.854371 0.146479
H -0.121207 -2.455615 1.087431
H -1.345741 -1.329577 1.766197
H 3.316122 -3.353779 -1.717718
H 5.350909 -1.992955 -1.142431
H -1.802300 -3.409878 -0.522462
H -2.207020 3.873872 -2.997941
H -1.871954 4.957345 -1.610399
H -3.538535 4.389176 -1.939456
H -2.756375 0.739243 -0.901055
H -4.138198 1.828462 -1.270132
H -2.944167 1.438726 -2.526487
H -4.820380 -4.481855 0.804084
H -5.240334 -3.236615 -0.390655
H -3.906040 -4.381557 -0.733109
H -4.381059 -2.612021 2.651328
H -3.324837 -1.230323 2.243060
H -4.906913 -1.425843 1.439540


