%chk=000159109.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159109

0 1
 O    3.673400      0.6686000     -0.2925000    
 O   -2.624700      -2.167300      5.4099999E-02
 N    1.459500      3.3000000E-02 -5.2999998E-03
 N    2.000900       2.291100     -0.2488000    
 N  -0.6704000     -0.8582000      3.0600000E-02
 N  -0.3728000       1.554600      2.8100001E-02
 N   -2.807000      0.1229000      4.4500001E-02
 C   0.6136000       2.645200      0.1714000    
 C   9.3800001E-02  0.3615000      1.7500000E-02
 C    1.573000      -1.367500      3.1500001E-02
 C   0.2837000      -1.916600      5.2099999E-02
 C    2.484200      0.9641000     -0.1667000    
 C   0.6132000       3.029500       1.663000    
 C   4.4199999E-02   3.814000     -0.6518000    
 C    2.946700       3.366000     -0.5450000    
 C   -2.076100      -1.064000      4.3299999E-02
 C    2.704100      -2.166000      3.5799999E-02
 C   0.1015000      -3.289700      8.0600001E-02
 C   -4.251300      0.1495000      5.8499999E-02
 C    2.525100      -3.550100      6.6100001E-02
 C    1.236800      -4.106100      8.8100001E-02
 C   -4.795200      0.1098000      -1.363800    
 C   -4.756300       1.375600      0.8086000    
 H   0.9921000       2.208100       2.282200    
 H    1.243300       3.904200       1.855500    
 H  -0.3996000       3.262100       2.012600    
 H   6.4300001E-02   3.580900      -1.722700    
 H  -0.9992000       4.017000     -0.3818000    
 H   0.6073000       4.740300     -0.4965000    
 H    3.949200       2.977500     -0.7416000    
 H    3.000000       4.048200      0.3070000    
 H    2.611800       3.903700      -1.435800    
 H    3.707500      -1.759400      2.2200000E-02
 H  -0.8753000      -3.755700      9.6699998E-02
 H   -2.315600       1.005300     -4.8500001E-02
 H   -4.606300     -0.7437000      0.5865000    
 H    3.391800      -4.205600      7.2600000E-02
 H    1.121300      -5.186700      0.1107000    
 H   -4.453100      0.9747000      -1.943400    
 H   -4.458000     -0.7909000      -1.888200    
 H   -5.890100      0.1100000      -1.364600    
 H   -4.425300       2.301900      0.3257000    
 H   -4.375200       1.385800       1.835600    
 H   -5.850300       1.385600      0.8525000    


%chk=000159109-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159109

0 1
O 3.644542 0.687419 -0.405968
O -2.607963 -2.176144 0.081608
N 1.448418 0.011652 0.050796
N 1.925422 2.296979 -0.267664
N -0.641033 -0.877007 0.059926
N -0.425999 1.550175 0.064650
N -2.759500 0.166007 0.074400
C 0.537017 2.669982 0.235855
C 0.075027 0.339957 0.063554
C 1.605232 -1.404711 0.041610
C 0.294875 -1.963085 0.055179
C 2.437209 1.005051 -0.208240
C 0.626007 3.010822 1.750387
C -0.010428 3.865740 -0.570309
C 2.878386 3.378748 -0.582809
C -2.085025 -1.023442 0.071130
C 2.755875 -2.207022 0.023340
C 0.098821 -3.354334 0.061638
C -4.239210 0.201229 0.065749
C 2.559113 -3.610428 0.028190
C 1.258257 -4.169835 0.049207
C -4.790939 -0.019872 -1.363080
C -4.709356 1.538745 0.671153
H 0.996026 2.140513 2.320367
H 1.307490 3.862798 1.924340
H -0.374546 3.278108 2.130981
H -0.019881 3.633535 -1.648708
H -1.048775 4.049334 -0.248054
H 0.575022 4.783870 -0.397232
H 3.866630 2.921899 -0.744227
H 2.952758 4.101351 0.251074
H 2.576535 3.916235 -1.498052
H 3.748001 -1.753659 -0.004876
H -0.909954 -3.767858 0.073293
H -2.193380 1.041860 0.052908
H -4.585373 -0.636485 0.700381
H 3.432630 -4.270720 0.013581
H 1.138917 -5.258455 0.053607
H -4.466988 0.793740 -2.038101
H -4.430078 -0.981300 -1.766628
H -5.896200 -0.043146 -1.349831
H -4.357168 2.394092 0.062794
H -4.333556 1.664484 1.702200
H -5.812355 1.576381 0.696478


