%chk=000047809.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047809

0 1
 O  -0.9470000     -0.2169000     -9.5399998E-02
 O    1.486900      0.6264000      6.8499997E-02
 O  -0.3296000      -2.407800     -0.3753000    
 N   -4.600300      0.2945000     -0.1216000    
 C   -3.189200      0.6378000     -2.8300000E-02
 C   -5.433600       1.495200     -2.1400001E-02
 C   -4.970200     -0.6657000      0.9211000    
 C   -2.323800     -0.6034000     -0.1761000    
 C    2.554000      -1.340100     -0.1700000    
 C    3.534300     -0.3248000     -1.4400000E-02
 C    1.331800     -0.7111000     -0.1127000    
 C   -5.068600       2.507700      -1.093700    
 C   -6.424900      -1.084200      0.7909000    
 C    2.827300      0.8647000      0.1287000    
 C   3.4000000E-03  -1.214700     -0.2088000    
 C    4.939000     -0.2796000      2.1500001E-02
 C    2.798200      -2.783700     -0.3570000    
 C    3.423600       2.111700      0.3065000    
 C    5.567600      0.9606000      0.1990000    
 C    4.821200       2.133500      0.3386000    
 H   -2.950400       1.146600      0.9154000    
 H   -2.877000       1.316400     -0.8299000    
 H   -6.486400       1.249100     -0.1935000    
 H   -5.358700       1.964100      0.9678000    
 H   -4.412800      -1.600100      0.8173000    
 H   -4.781700     -0.2738000       1.928300    
 H   -2.504800      -1.091300      -1.141200    
 H   -2.478800      -1.320200      0.6339000    
 H   -4.134800       3.033900     -0.8731000    
 H   -4.994300       2.044700      -2.083700    
 H   -5.849200       3.274900      -1.152400    
 H   -7.116100     -0.3066000       1.129900    
 H   -6.677700      -1.362300     -0.2381000    
 H   -6.612400      -1.961600       1.420500    
 H    5.536200      -1.180000     -8.5299999E-02
 H    2.336600      -3.360300      0.4514000    
 H    2.376800      -3.125600      -1.308100    
 H    3.866400      -3.020900     -0.3642000    
 H    2.838100       3.016800      0.4141000    
 H    6.653100       1.009400      0.2283000    
 H    5.336200       3.081200      0.4749000    


%chk=000047809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047809

0 1
O -0.943074 -0.037415 -0.097219
O 1.592491 0.729223 0.288543
O -0.345981 -2.174014 -0.834487
N -4.646829 0.452234 0.156371
C -3.199833 0.744226 0.304768
C -5.473459 1.659717 -0.108009
C -5.180051 -0.399562 1.255133
C -2.377942 -0.387525 -0.322724
C 2.561756 -1.293021 -0.365300
C 3.619211 -0.366638 0.009151
C 1.364222 -0.600233 -0.184690
C -5.312832 2.193742 -1.543989
C -6.393097 -1.245653 0.824171
C 2.986282 0.849814 0.399576
C -0.021199 -1.031657 -0.408341
C 5.035433 -0.449770 0.050559
C 2.752975 -2.703482 -0.846603
C 3.682450 1.989664 0.828500
C 5.757144 0.682112 0.478132
C 5.090454 1.884353 0.861447
H -2.895352 0.878516 1.368905
H -2.956134 1.686218 -0.216141
H -6.531703 1.380357 0.045697
H -5.252087 2.475238 0.626562
H -4.370984 -1.082298 1.576042
H -5.444992 0.215461 2.152308
H -2.564901 -0.463464 -1.407856
H -2.586134 -1.370287 0.136855
H -4.272564 2.501610 -1.755772
H -5.591599 1.413070 -2.272928
H -5.960533 3.076277 -1.702510
H -7.241388 -0.614898 0.502235
H -6.117962 -1.900483 -0.020721
H -6.743568 -1.875094 1.663481
H 5.554598 -1.368488 -0.242109
H 3.285578 -3.305863 -0.086318
H 1.785757 -3.180936 -1.061753
H 3.369579 -2.721186 -1.765347
H 3.159674 2.904698 1.119360
H 6.851013 0.645005 0.519043
H 5.683979 2.744933 1.188380


