%chk=000046073.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046073

0 1
 O    1.732300      -1.115300      0.7516000    
 O    1.542000       1.204000     -0.7647000    
 O    1.695800      -2.374500      -1.202800    
 O    1.486600       2.457200       1.193100    
 N   -4.456400      2.3200000E-02 -0.4960000    
 N    3.495800      -2.495000      0.2559000    
 N    3.157200       2.786300     -0.3827000    
 C   -3.149700      -1.481300      0.9393000    
 C   -4.413600     -0.6237000      0.8212000    
 C   -3.353600      0.9923000     -0.6233000    
 C   -1.904700     -0.7513000      0.5072000    
 C   -2.002100      0.4092000     -0.2796000    
 C  -0.6423000      -1.260200      0.8388000    
 C  -0.8335000       1.063900     -0.6918000    
 C   -5.743200      0.6855000     -0.7074000    
 C   0.5143000     -0.6069000      0.4141000    
 C   0.4188000      0.5550000     -0.3483000    
 C    2.265800      -2.036900     -0.1694000    
 C    2.022100       2.186200      0.1223000    
 C    4.289700      -3.451400     -0.4799000    
 C    3.878800       3.833500      0.3023000    
 H   -3.254800      -2.375600      0.3118000    
 H   -3.044300      -1.812900       1.979200    
 H   -5.283100      -1.278300      0.9584000    
 H   -4.441200      0.1249000       1.624700    
 H   -3.520500       1.859900      2.9500000E-02
 H   -3.324100       1.349200      -1.660500    
 H  -0.5623000      -2.169000       1.430900    
 H  -0.9016000       1.974300      -1.283100    
 H   -6.560500     -4.3099999E-02 -0.6689000    
 H   -5.779800       1.146000      -1.700900    
 H   -5.938400       1.462100      4.1000001E-02
 H    3.863500      -2.139500       1.133100    
 H    3.505000       2.474000      -1.283900    
 H    4.462300      -4.317700      0.1632000    
 H    5.247500      -2.984600     -0.7222000    
 H    3.787100      -3.764800      -1.397800    
 H    3.903500       4.711700     -0.3473000    
 H    4.899500       3.485200      0.4781000    
 H    3.405000       4.088400       1.253100    


%chk=000046073-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046073

0 1
O 1.560247 -1.167757 0.793507
O 1.367934 1.205075 -0.811467
O 2.106212 -1.921785 -1.402846
O 1.900884 2.068864 1.346904
N -4.717886 0.065321 -0.433193
N 3.639753 -1.957093 0.387222
N 3.346865 2.255870 -0.505582
C -3.409966 -1.547372 0.898012
C -4.640469 -0.622133 0.876132
C -3.593399 1.005088 -0.624645
C -2.148788 -0.811123 0.469643
C -2.242110 0.393193 -0.277037
C -0.869834 -1.325503 0.793552
C -1.059911 1.062546 -0.671954
C -6.017549 0.715413 -0.675531
C 0.297540 -0.660651 0.389272
C 0.201658 0.546504 -0.341201
C 2.430115 -1.708001 -0.215149
C 2.202255 1.871641 0.150107
C 4.751628 -2.584944 -0.328762
C 4.404242 3.021058 0.157189
H -3.594989 -2.389236 0.202637
H -3.276848 -1.979207 1.908633
H -5.561863 -1.217578 1.011266
H -4.585829 0.107829 1.725912
H -3.729361 1.932271 -0.001594
H -3.590914 1.335231 -1.681466
H -0.770518 -2.253905 1.366326
H -1.107046 1.996568 -1.242774
H -6.827462 -0.031915 -0.604289
H -6.035862 1.141805 -1.695138
H -6.242068 1.542656 0.046122
H 3.728800 -1.703529 1.371606
H 3.429762 1.991866 -1.487817
H 5.023735 -3.557510 0.121986
H 5.644430 -1.932487 -0.335980
H 4.432404 -2.757098 -1.369024
H 4.551119 4.006099 -0.323476
H 5.364030 2.471804 0.146943
H 4.101957 3.182126 1.204255


