%chk=000138694.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138694

0 1
 O    3.006800       1.633500     -1.6600000E-02
 N    4.366100     -0.2452000     -4.1200001E-02
 C   -1.964200      0.3337000      0.1252000    
 C  -0.6677000     -0.4804000      7.3899999E-02
 C   -3.226300     -0.5272000      3.6400001E-02
 C   0.5954000      0.3876000      8.8100001E-02
 C   -4.487500      0.3395000      1.8300001E-02
 C    1.875200     -0.4491000      4.7400001E-02
 C   -5.747900     -0.5158000     -0.1090000    
 C    3.131900      0.4041000     -1.2000001E-03
 C   -7.005100      0.3389000     -9.3500003E-02
 C    4.489700      -1.698000     -2.2000000E-02
 C    5.633700      0.4784000     -0.1057000    
 H   -1.986400      0.9178000       1.053500    
 H   -1.962200       1.054500     -0.7020000    
 H  -0.6668000      -1.097400     -0.8332000    
 H  -0.6438000      -1.170200      0.9266000    
 H   -3.188200      -1.137500     -0.8741000    
 H   -3.260600      -1.217300      0.8878000    
 H   0.5950000       1.016100      0.9875000    
 H   0.5710000       1.068700     -0.7719000    
 H   -4.438900       1.045300     -0.8199000    
 H   -4.535900      0.9339000      0.9388000    
 H    1.914700      -1.080900      0.9418000    
 H    1.856700      -1.087900     -0.8429000    
 H   -5.794100      -1.236100      0.7162000    
 H   -5.714600      -1.091700      -1.041000    
 H   -7.894100     -0.2927000     -0.1866000    
 H   -7.085200      0.9023000      0.8416000    
 H   -7.005600       1.050800     -0.9251000    
 H    5.013500      -2.012600     -0.9300000    
 H    5.084800      -1.982900      0.8511000    
 H    3.538400      -2.226100      2.4800001E-02
 H    5.467500       1.558500     -0.1167000    
 H    6.235300      0.2173000      0.7697000    
 H    6.161200      0.1877000      -1.018600    


%chk=000138694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138694

0 1
O 3.116116 1.653519 0.057501
N 4.408183 -0.277953 0.003020
C -1.954162 0.350763 0.000943
C -0.659328 -0.492792 -0.010126
C -3.242756 -0.501972 -0.011416
C 0.620343 0.371538 0.010372
C -4.536111 0.343832 -0.002809
C 1.904288 -0.481743 -0.005845
C -5.826302 -0.507605 -0.013255
C 3.177224 0.382836 0.020297
C -7.112266 0.347127 -0.005171
C 4.589754 -1.734127 -0.041043
C 5.648206 0.516197 0.028423
H -1.955896 1.005437 0.897299
H -1.954926 1.029623 -0.877176
H -0.656868 -1.143106 -0.910856
H -0.662673 -1.175671 0.866158
H -3.240510 -1.157740 -0.907622
H -3.242700 -1.179666 0.868344
H 0.626539 1.020584 0.905939
H 0.630063 1.058278 -0.856552
H -4.538167 1.020505 -0.883073
H -4.539286 1.000962 0.892138
H 1.903151 -1.169161 0.865212
H 1.908808 -1.125970 -0.909266
H -5.823471 -1.183107 0.866729
H -5.821780 -1.163829 -0.907740
H -8.020386 -0.283541 -0.015618
H -7.155385 0.988021 0.895793
H -7.150955 1.011195 -0.889400
H 5.159992 -2.028601 -0.944927
H 5.155659 -2.083686 0.845786
H 3.624440 -2.258033 -0.059624
H 5.372099 1.580909 0.061616
H 6.255013 0.265069 0.920362
H 6.255847 0.321511 -0.876914


