%chk=000126860.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126860

0 1
 O    3.184300       1.313200      -1.649600    
 O   -2.598100      -3.541100      0.3983000    
 O   -1.016500      -2.919800       1.907700    
 N    3.141700     -0.3271000     -1.8000000E-03
 N   -2.096000       1.339100     -0.1748000    
 N   -4.186200       2.361800     -0.7706000    
 N   -3.390300      0.5735000      -1.938400    
 C    1.885600       1.882400       1.525600    
 C   0.5932000       2.141300      0.7449000    
 C    3.130900       2.001800      0.6486000    
 C  -0.6337000       2.039900       1.656800    
 C    1.755100      -1.942800      -1.265300    
 C    3.155600      -1.477100     -0.8763000    
 C   0.8948000      -2.311600     -5.0600000E-02
 C    3.157300      0.9766000     -0.4677000    
 C   -1.937200       2.306400      0.9122000    
 C  -0.5018000      -2.781400     -0.4484000    
 C   -1.371500      -3.079300      0.7471000    
 C   -3.167200       1.444100     -0.8978000    
 H    1.966000       2.614700       2.338600    
 H    1.834700      0.8964000       2.001000    
 H   0.5066000       1.416300     -7.1900003E-02
 H   0.6316000       3.138900      0.2908000    
 H    3.189400       3.002700      0.2056000    
 H    4.030000       1.863000       1.260200    
 H  -0.5413000       2.756300       2.481800    
 H  -0.6696000       1.037500       2.101600    
 H    1.252400      -1.149200      -1.832000    
 H    1.840100      -2.809800      -1.931000    
 H    3.725700      -1.231700      -1.779000    
 H    3.688300      -2.276200     -0.3496000    
 H    1.395700      -3.097500      0.5286000    
 H   0.8020000      -1.444200      0.6147000    
 H    3.152200     -0.5012000      0.9984000    
 H   -2.767400       2.220700       1.623600    
 H   -1.920800       3.329400      0.5167000    
 H  -0.9996000      -2.004300      -1.039200    
 H  -0.4259000      -3.692500      -1.051900    
 H   -3.155500      -3.728900       1.183500    
 H   -4.183000       3.077900     -5.3100001E-02
 H   -4.982800       2.348300      -1.398500    
 H   -2.726700     -0.1618000      -2.157200    
 H   -4.221700      0.6383000      -2.515400    


%chk=000126860-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126860

0 1
O 3.346034 1.377499 -1.472757
O -2.838942 -2.795375 0.159703
O -1.109062 -3.330289 1.609530
N 3.393462 -0.383292 0.042120
N -2.200790 0.956234 0.002083
N -4.066034 2.027091 -1.118770
N -3.835233 -0.303418 -1.152520
C 1.936289 1.813450 1.691547
C 0.707843 2.019831 0.776907
C 3.294639 1.911755 0.936194
C -0.620634 2.097007 1.558711
C 1.725646 -1.618852 -1.362875
C 3.217001 -1.415930 -0.995998
C 0.883234 -2.175980 -0.194898
C 3.359871 0.968760 -0.269902
C -1.854738 2.249444 0.644233
C -0.627794 -2.066853 -0.475466
C -1.469801 -2.791682 0.543031
C -3.302777 0.914991 -0.725106
H 1.931772 2.580301 2.492776
H 1.850710 0.832617 2.204926
H 0.642947 1.201108 0.034781
H 0.844376 2.954150 0.193489
H 3.429324 2.934669 0.545386
H 4.128279 1.701760 1.635494
H -0.578422 2.960276 2.255426
H -0.757805 1.185676 2.173477
H 1.323710 -0.643126 -1.697553
H 1.661850 -2.303410 -2.232997
H 3.774626 -1.084975 -1.889145
H 3.664594 -2.360062 -0.632182
H 1.159770 -3.229652 0.005560
H 1.105659 -1.613229 0.732450
H 3.359930 -0.660677 1.024166
H -2.711233 2.628834 1.249945
H -1.621372 3.040801 -0.110618
H -0.957927 -1.000516 -0.461525
H -0.882151 -2.458722 -1.479896
H -3.372842 -3.241993 0.870585
H -3.704685 2.964304 -0.970594
H -5.045488 1.919541 -1.370273
H -3.448025 -1.165156 -0.754401
H -4.315409 -0.353913 -2.048844


