%chk=000096918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096918

0 1
 O   -2.180900      -2.207500     -0.2703000    
 O  -1.8500000E-02  -3.742700     -6.7699999E-02
 N    4.983100      0.8291000     -0.2853000    
 C   0.3878000      0.3765000      0.3773000    
 C    1.498400     -0.4791000      0.4743000    
 C  -0.9068000     -0.1465000      0.1231000    
 C    2.882500      3.1700000E-02  0.7406000    
 C   -2.023800      0.7574000      2.9899999E-02
 C    3.629900      0.3560000     -0.5572000    
 C   -1.007400      -1.552800     -2.3600001E-02
 C    1.358700      -1.855300      0.3241000    
 C   -1.803200       2.149800      0.1949000    
 C   0.5652000       1.753600      0.5338000    
 C   0.1054000      -2.392600      7.5099997E-02
 C  -0.5138000       2.626800      0.4440000    
 C   -3.358200      0.3500000     -0.2201000    
 C   -2.872100       3.058200      0.1098000    
 C   -4.412200       1.263900     -0.3023000    
 C   -4.169000       2.618600     -0.1371000    
 C    5.717200       1.034500      -1.534800    
 C    4.948300       2.068000      0.4933000    
 C   -2.536400      -2.400100      -1.636200    
 C  -0.2744000      -4.497600       1.114400    
 H    2.844300      0.8584000       1.453600    
 H    3.447100     -0.7413000       1.283500    
 H    3.067900       1.092100      -1.147900    
 H    3.681000     -0.5568000      -1.165700    
 H    2.220800      -2.513800      0.3959000    
 H    1.532500       2.213600      0.7092000    
 H  -0.3308000       3.692700      0.5678000    
 H   -3.680200     -0.6751000     -0.2962000    
 H   -2.702200       4.125900      0.2373000    
 H   -5.424100      0.9113000     -0.4803000    
 H    6.750100       1.337600      -1.330000    
 H    5.251400       1.799100      -2.167200    
 H    5.774300      0.1014000      -2.106400    
 H    4.638300       1.893900       1.527600    
 H    4.297300       2.827100      4.4300001E-02
 H    5.954700       2.497800      0.5699000    
 H   -4.985000       3.332200     -0.1965000    
 H   -2.358500      -1.502600      -2.238100    
 H   -3.598400      -2.656800      -1.686700    
 H   -1.963600      -3.234100      -2.053700    
 H   -1.209700      -4.177200       1.584100    
 H   0.5551000      -4.395100       1.821300    
 H  -0.3670000      -5.550700      0.8349000    


%chk=000096918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096918

0 1
O -2.241563 -2.213157 -0.333831
O 0.046693 -3.823618 0.002384
N 5.035683 0.979740 -0.345992
C 0.413259 0.380226 0.438288
C 1.564794 -0.480334 0.553807
C -0.910451 -0.164511 0.178938
C 2.968667 0.063200 0.782219
C -2.059405 0.757700 0.098224
C 3.625222 0.567756 -0.532817
C -1.009966 -1.589264 -0.001025
C 1.393854 -1.865768 0.433321
C -1.826413 2.181359 0.210531
C 0.573042 1.812913 0.564500
C 0.121321 -2.420695 0.166992
C -0.492706 2.678022 0.440868
C -3.420304 0.331525 -0.056016
C -2.916828 3.100851 0.121637
C -4.475627 1.252564 -0.132948
C -4.229438 2.651437 -0.055406
C 5.768335 1.049472 -1.627564
C 5.182239 2.226341 0.432391
C -2.287481 -2.738514 -1.720187
C -0.817091 -4.530811 0.976768
H 2.960860 0.871326 1.536661
H 3.617214 -0.735378 1.183527
H 3.004064 1.391545 -0.971502
H 3.609803 -0.263856 -1.262157
H 2.240736 -2.551710 0.539149
H 1.570896 2.214489 0.761095
H -0.345994 3.760825 0.531489
H -3.628697 -0.737111 -0.099164
H -2.703518 4.173464 0.204604
H -5.501832 0.885412 -0.247941
H 6.834184 1.267697 -1.433780
H 5.377659 1.835419 -2.323716
H 5.708145 0.075173 -2.144296
H 4.744877 2.109037 1.438507
H 4.696310 3.109453 -0.058911
H 6.255136 2.455646 0.561202
H -5.058679 3.364422 -0.121101
H -2.191322 -1.907927 -2.444267
H -3.274656 -3.215475 -1.822762
H -1.483746 -3.479729 -1.876402
H -1.854698 -4.157609 0.925279
H -0.417540 -4.399599 2.000423
H -0.769936 -5.592449 0.689681


