%chk=000135721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135721

0 1
 O    4.412000     -0.5762000     -0.6016000    
 O   -3.476900      -3.035000     -6.0600001E-02
 O   -1.341000      -3.493500     -0.2774000    
 O    4.583400     -0.6888000       1.730400    
 N   -2.282400      -2.686400     -0.1443000    
 C  -0.3252000      0.4964000     -0.1196000    
 C    1.039100      0.8913000     -0.2150000    
 C   -1.357100       1.461000      3.0700000E-02
 C  -0.6417000     -0.8781000     -0.1769000    
 C   -2.725000       1.026200      0.1240000    
 C    2.059700     -7.9200000E-02 -0.3648000    
 C    1.388400       2.257800     -0.1611000    
 C   -3.014000     -0.3597000      6.3600004E-02
 C   -1.975500      -1.284800     -8.4899999E-02
 C  -0.9596000       2.816700      7.9800002E-02
 C   0.3803000      -1.825600     -0.3253000    
 C    1.713800      -1.432300     -0.4181000    
 C   0.3785000       3.207900     -1.3600000E-02
 C    3.398700      0.3281000     -0.4572000    
 C    2.735500       2.638300     -0.2558000    
 C   -3.831700       1.900400      0.2754000    
 C   -4.340100     -0.8182000      0.1519000    
 C    3.733500       1.678600     -0.4029000    
 C   -5.145400       1.431800      0.3619000    
 C   -5.399700      7.1099997E-02  0.3000000    
 C    4.945800      -1.031800      0.6129000    
 C    6.046500      -2.015800      0.3484000    
 H   -1.690300       3.613600      0.1934000    
 H   0.4001000      -2.896400     -0.3950000    
 H    2.473700      -2.202400     -0.5372000    
 H   0.6162000       4.268800      3.1300001E-02
 H    3.019200       3.687900     -0.2159000    
 H   -3.694400       2.977200      0.3299000    
 H   -4.804600      -1.784900      0.1323000    
 H    4.771500       1.992500     -0.4755000    
 H   -5.965100       2.135000      0.4775000    
 H   -6.422000     -0.2909000      0.3673000    
 H    6.847100      -1.531200     -0.2157000    
 H    6.453300      -2.369700       1.299900    
 H    5.650600      -2.872600     -0.2023000    


%chk=000135721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135721

0 1
O 4.319632 -0.804512 0.023562
O -3.325938 -3.241667 0.705185
O -1.896597 -3.516674 -1.047011
O 6.346336 0.398653 0.179199
N -2.464651 -2.779350 -0.145275
C -0.407651 0.426348 0.017470
C 0.979831 0.823701 0.063769
C -1.441781 1.422519 0.066381
C -0.745785 -0.986334 -0.075992
C -2.839587 1.021241 0.030552
C 2.024047 -0.165723 0.026579
C 1.329772 2.218335 0.149157
C -3.186705 -0.385414 -0.026218
C -2.115960 -1.345987 -0.081848
C -1.054737 2.808505 0.153040
C 0.335557 -1.952305 -0.107099
C 1.656541 -1.559594 -0.052193
C 0.275801 3.193156 0.191377
C 3.382235 0.264613 0.072768
C 2.701818 2.592499 0.192000
C -3.902838 1.982204 0.039017
C -4.573662 -0.758285 -0.074583
C 3.729120 1.636081 0.155194
C -5.242217 1.593796 -0.008368
C -5.577488 0.208957 -0.070443
C 5.733196 -0.680179 0.075149
C 6.340285 -2.060479 -0.020543
H -1.822817 3.583701 0.193550
H 0.097457 -3.013921 -0.189297
H 2.453662 -2.306130 -0.074324
H 0.541154 4.254301 0.258734
H 2.962041 3.654855 0.255971
H -3.670860 3.049236 0.077629
H -4.847939 -1.814278 -0.101725
H 4.775846 1.936475 0.190843
H -6.034395 2.349675 -0.001388
H -6.627706 -0.098074 -0.110700
H 6.058246 -2.533520 -0.977305
H 7.434793 -1.985094 0.047353
H 5.957146 -2.704228 0.789738


