%chk=000096638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096638

0 1
 O    2.241500      0.8621000     -0.7109000    
 O    3.504800     -0.9493000      0.2260000    
 N  -0.1672000     -0.4896000      5.9599999E-02
 N   -5.076100      0.2817000     -0.6091000    
 C    1.125200     -0.8645000      0.6256000    
 C    2.261800     -0.5260000     -0.3472000    
 C   -1.245000     -0.7783000      0.9942000    
 C   -2.590600     -0.4060000      0.4309000    
 C    2.385000       1.766300      0.3759000    
 C    4.614500     -0.6703000     -0.6175000    
 C   -3.091800      0.8657000      0.6426000    
 C   -3.311100      -1.339700     -0.2919000    
 C    2.345600       3.184000     -0.1536000    
 C    5.881300      -1.147100      6.0300000E-02
 C   -4.334300       1.158800      0.1039000    
 C   -4.543600     -0.9479000     -0.7888000    
 H    1.289500     -0.3849000       1.597500    
 H    1.151300      -1.944700      0.8195000    
 H    2.111700      -1.095100      -1.273300    
 H  -0.1625000      0.5056000     -0.1629000    
 H   -1.091700     -0.2392000       1.938600    
 H   -1.251400      -1.845900       1.250600    
 H    3.333600       1.591300      0.8936000    
 H    1.565900       1.657600       1.091800    
 H    4.695900      0.4045000     -0.8092000    
 H    4.489100      -1.191100      -1.573300    
 H   -2.544400       1.614400       1.204200    
 H   -2.938100      -2.341700     -0.4719000    
 H    2.453100       3.908700      0.6584000    
 H    3.149000       3.346100     -0.8798000    
 H    1.401700       3.375000     -0.6750000    
 H    6.756800     -0.9530000     -0.5655000    
 H    6.016300     -0.6430000       1.023000    
 H    5.826900      -2.220800      0.2681000    
 H   -4.779500       2.139500      0.2357000    
 H   -5.154700      -1.635800      -1.363900    


%chk=000096638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096638

0 1
O 2.188523 0.903631 -0.773016
O 3.463466 -0.841665 0.333892
N -0.199256 -0.371889 0.270177
N -5.252873 -0.060626 -0.665331
C 1.123850 -0.709703 0.821105
C 2.191878 -0.475067 -0.255347
C -1.311248 -0.450641 1.229982
C -2.671461 -0.296409 0.560790
C 2.501149 1.952242 0.230205
C 4.558464 -0.970390 -0.656833
C -3.783087 0.214053 1.276105
C -2.881804 -0.679095 -0.787026
C 2.815845 3.229876 -0.547585
C 5.833014 -1.302217 0.116084
C -5.037851 0.308321 0.633515
C -4.171359 -0.545026 -1.348867
H 1.397808 -0.127753 1.735116
H 1.145904 -1.778954 1.102473
H 1.973362 -1.068710 -1.165829
H -0.174568 0.514263 -0.253305
H -1.233126 0.290250 2.065565
H -1.264924 -1.450431 1.711088
H 3.361202 1.624185 0.845359
H 1.627950 2.104077 0.899335
H 4.655684 -0.021758 -1.220791
H 4.300106 -1.777966 -1.374830
H -3.678963 0.536650 2.318822
H -2.044380 -1.070002 -1.372262
H 3.031967 4.061205 0.148483
H 3.693764 3.080886 -1.199774
H 1.961408 3.520062 -1.183459
H 6.682901 -1.424790 -0.579886
H 6.077818 -0.494957 0.827962
H 5.709443 -2.239108 0.686172
H -5.912042 0.698752 1.167547
H -4.360063 -0.833895 -2.389440


