%chk=000046697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046697

0 1
 O    3.154800     -0.7694000      0.2213000    
 O    2.554300       1.940500      0.3067000    
 N   -3.237600     -8.8500001E-02  0.4699000    
 C   -2.258100      0.9720000      0.1654000    
 C  -0.8165000      0.4985000      0.1886000    
 C  -0.5079000     -0.8732000      0.1367000    
 C   -1.606100      -1.904500      0.1319000    
 C   -2.957300      -1.318300     -0.2730000    
 C   -2.606800       1.650800      -1.164700    
 C   0.2290000       1.433400      0.2447000    
 C   0.8317000      -1.286000      0.1546000    
 C    1.859900     -0.3459000      0.2067000    
 C    1.558900       1.012700      0.2520000    
 C    3.801600     -0.9221000      -1.040900    
 H   -2.370700       1.718400      0.9622000    
 H   -1.352000      -2.718300     -0.5576000    
 H   -1.677900      -2.330300       1.140800    
 H   -2.991700      -1.137400      -1.353700    
 H   -3.741300      -2.052700     -5.6499999E-02
 H   -4.178800      0.2369000      0.2520000    
 H   -1.985300       2.539100      -1.325500    
 H   -2.448900      0.9880000      -2.022500    
 H   -3.651000       1.982900      -1.177300    
 H  -3.3000000E-03   2.495500      0.2843000    
 H    1.072300      -2.346600      0.1322000    
 H    2.159300       2.829000      0.3318000    
 H    3.286900      -1.674700      -1.646500    
 H    4.826600      -1.258100     -0.8622000    
 H    3.834300      3.2400001E-02  -1.575500    


%chk=000046697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046697

0 1
O 3.097598 -1.122124 0.044401
O 2.660852 1.741121 0.050897
N -3.264009 -0.057447 0.524865
C -2.292959 0.998490 0.148043
C -0.872206 0.425794 0.120340
C -0.621229 -0.972491 0.132446
C -1.765815 -1.972212 0.236381
C -3.100290 -1.337606 -0.195908
C -2.645813 1.701067 -1.202763
C 0.226738 1.316983 0.074003
C 0.717681 -1.427136 0.067778
C 1.816314 -0.544768 0.016812
C 1.558454 0.856250 0.039537
C 4.103503 -0.618325 -0.913379
H -2.331260 1.770067 0.944448
H -1.550909 -2.868656 -0.376735
H -1.862229 -2.306350 1.288159
H -3.110879 -1.226547 -1.308351
H -3.941929 -1.999882 0.076169
H -4.230076 0.291459 0.510350
H -1.907500 2.482268 -1.460795
H -2.664247 0.969645 -2.031019
H -3.640848 2.181208 -1.135694
H 0.040774 2.401181 0.089644
H 0.940075 -2.500088 0.064517
H 2.346486 2.674227 0.144589
H 3.752784 -0.764993 -1.953835
H 4.997549 -1.234257 -0.731479
H 4.321788 0.447220 -0.737518


