%chk=000005306.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005306

0 1
 O   -8.296800      -1.315000     -0.1425000    
 O    1.683400      -1.779800      0.3731000    
 N   -3.460500      0.3035000     -1.9300001E-02
 N   -6.311200     -9.7700000E-02  8.1900001E-02
 N    4.043100      -1.891700      0.3803000    
 C   -4.123800     -0.6138000     -0.9526000    
 C   -4.284300       1.012500      0.9662000    
 C   -5.414200      -1.161900     -0.3473000    
 C   -5.715000       1.177000      0.4582000    
 C   -2.081800      0.4981000     -6.8800002E-02
 C   -1.364100      0.3804000      -1.282500    
 C   -1.341300      0.8218000       1.092700    
 C   -7.680300     -0.2936000      0.1388000    
 C   0.7177000      0.8931000     -0.1693000    
 C   1.6200000E-02  0.5750000      -1.332000    
 C   3.9000001E-02   1.016500       1.043200    
 C    3.104500      0.1543000     -3.4000002E-02
 C    4.555100      0.3035000     -7.4600004E-02
 C    2.156900       1.096200     -0.2208000    
 C    5.075600     -0.9679000      0.1834000    
 C    2.789200      -1.283100      0.2637000    
 C    5.395300       1.377400     -0.3002000    
 C    6.433500      -1.216400      0.2257000    
 C    6.774900       1.148000     -0.2618000    
 C    7.288900     -0.1364000     -1.4000000E-03
 H   -3.474500      -1.464300      -1.193600    
 H   -4.345900     -8.0100000E-02  -1.884700    
 H   -3.879600       2.011500       1.168900    
 H   -4.284800      0.4482000       1.906700    
 H   -5.931200      -1.812500      -1.061100    
 H   -5.191300      -1.764500      0.5418000    
 H   -6.340600       1.666600       1.212500    
 H   -5.729700       1.808600     -0.4385000    
 H   -1.880300      0.1463000      -2.210900    
 H   -1.835600      0.9131000       2.057300    
 H   -8.210500      0.6121000      0.4772000    
 H   0.5310000      0.4780000      -2.284900    
 H   0.5726000       1.261100       1.958500    
 H    2.456400       2.119900     -0.4346000    
 H    4.200100      -2.872400      0.5809000    
 H    5.010800       2.371100     -0.5016000    
 H    6.827900      -2.206000      0.4265000    
 H    7.461500       1.972700     -0.4354000    
 H    8.365000     -0.2869000      2.2800000E-02


%chk=000005306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005306

0 1
O -8.595064 -0.378541 -0.891316
O 2.341168 -0.910253 2.545234
N -3.586973 0.241413 -0.141102
N -6.489564 0.141710 -0.007977
N 4.638411 -0.734184 2.049681
C -4.420764 0.436735 -1.349478
C -4.296264 0.035080 1.140938
C -5.764009 -0.301900 -1.219610
C -5.685449 0.698249 1.099037
C -2.191753 0.240982 -0.202082
C -1.495939 0.690472 -1.372286
C -1.399633 -0.206768 0.906552
C -7.867629 0.057926 0.045273
C 0.701271 0.240579 -0.308370
C -0.097599 0.684275 -1.412480
C -0.001127 -0.206900 0.857691
C 3.225941 -0.045946 0.334301
C 4.633467 0.105359 -0.087775
C 2.143340 0.284888 -0.469996
C 5.471320 -0.325622 0.988232
C 3.268203 -0.598001 1.734071
C 5.232604 0.566228 -1.278921
C 6.873786 -0.307827 0.905971
C 6.645071 0.591128 -1.379824
C 7.455072 0.159205 -0.299824
H -3.892623 0.020039 -2.225307
H -4.598579 1.515158 -1.548632
H -3.716433 0.503775 1.956571
H -4.400195 -1.045135 1.378715
H -6.404177 -0.105637 -2.097623
H -5.590912 -1.395564 -1.178232
H -6.205678 0.521128 2.057682
H -5.557689 1.793916 0.981458
H -2.048118 1.075356 -2.234500
H -1.884154 -0.591057 1.809308
H -8.279104 0.418733 1.016829
H 0.404555 1.044685 -2.319775
H 0.579887 -0.563729 1.715167
H 2.441853 0.671349 -1.458767
H 4.947747 -1.094172 2.951372
H 4.621268 0.903566 -2.123929
H 7.502079 -0.641238 1.738942
H 7.117498 0.947551 -2.301416
H 8.546186 0.185490 -0.395902


