%chk=000046663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046663

0 1
 O    4.717500      0.5316000     -5.0000002E-04
 O    4.057900      -1.673700      6.0000003E-04
 N   -1.432400       1.636800       0.000000    
 N  -0.9212000      -2.523300      1.9999999E-04
 C   2.6600000E-02 -0.2763000      9.9999997E-05
 C   -1.094300      -1.112500     -9.9999997E-05
 C   -2.384500     -0.5728000     -1.9999999E-04
 C  -0.1919000       1.111800      1.9999999E-04
 C   -2.508700      0.8268000     -1.9999999E-04
 C    1.334700     -0.7915000      3.0000001E-04
 C    2.429500      6.7699999E-02  6.0000003E-04
 C   0.9201000       1.949600      6.0000003E-04
 C   -3.528600      -1.389600     -3.0000001E-04
 C    2.221300       1.441100      6.9999998E-04
 C   -3.790600       1.370200     -3.0000001E-04
 C   -4.799000     -0.8212000     -3.0000001E-04
 C   -4.929900      0.5615000     -3.0000001E-04
 C    3.781800     -0.4667000      6.9999998E-04
 C    6.091800      0.1306000     -1.9000000E-03
 H    1.533800      -1.857800       0.000000    
 H   0.7824000       3.029500      6.9999998E-04
 H   -3.487000      -2.473500     -1.9999999E-04
 H    3.037800       2.157600      8.9999998E-04
 H   -3.919500       2.451100     -1.9999999E-04
 H   -5.681600      -1.453600     -3.0000001E-04
 H  -6.8999999E-03  -2.947900      3.8000001E-03
 H   -1.708600      -3.153100     -2.0000001E-03
 H   -5.916600       1.015300     -1.9999999E-04
 H    6.313400     -0.4529000     -0.9005000    
 H    6.316500     -0.4473000      0.8994000    
 H    6.709700       1.032300     -5.9000002E-03


%chk=000046663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046663

0 1
O 4.816075 0.559079 -0.000676
O 4.117211 -1.663449 -0.000643
N -1.477181 1.681074 -0.000034
N -0.914812 -2.570708 0.000126
C 0.031795 -0.309866 -0.000077
C -1.099431 -1.204478 0.000033
C -2.424036 -0.637012 0.000104
C -0.226250 1.129089 0.000034
C -2.546122 0.816458 -0.000066
C 1.384342 -0.765111 -0.000298
C 2.458672 0.133277 -0.000201
C 0.903523 2.024887 0.000197
C -3.621400 -1.429600 0.000356
C 2.207928 1.551142 0.000105
C -3.863478 1.394735 -0.000227
C -4.882744 -0.834419 0.000235
C -5.003353 0.594552 -0.000115
C 3.832904 -0.435940 -0.000445
C 6.211949 0.075966 -0.000930
H 1.644795 -1.831046 -0.000661
H 0.680879 3.096004 0.000367
H -3.569330 -2.526110 0.000759
H 3.059512 2.236625 0.000214
H -3.922399 2.487374 -0.000410
H -5.783443 -1.457837 0.000449
H 0.016894 -2.975527 0.000517
H -1.704981 -3.208263 -0.000202
H -5.997994 1.054338 -0.000230
H 6.407034 -0.538228 -0.896853
H 6.408809 -0.533631 0.897758
H 6.828129 0.986425 -0.003787


