%chk=000117033.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117033

0 1
 O    3.688300      -2.368800     -0.5320000    
 N   -4.538300      0.2938000     -0.1057000    
 C   0.6884000      -1.945900     -0.3822000    
 C  -0.6988000      -1.355100     -0.2900000    
 C    1.760800     -0.9387000     -0.2231000    
 C   -3.244000     -0.2625000     -0.1677000    
 C   -1.342800      -1.266500      0.9342000    
 C   -2.623300     -0.7169000      0.9958000    
 C   -1.303500     -0.9075000      -1.454700    
 C   -2.584100     -0.3578000      -1.392900    
 C    3.934500     -3.2499999E-02 -0.1090000    
 C    2.985900      0.9612000      9.5600002E-02
 C    3.204500      -1.276900     -0.3193000    
 C    1.661400      0.3773000      2.0300001E-02
 C   -5.238400      0.3847000       1.160400    
 C   -5.191500      0.7692000      -1.309200    
 C  -0.6973000      -1.745400       2.193100    
 C    5.294000      0.2072000     -9.7599998E-02
 C    3.383900       2.265400      0.3248000    
 C   -4.908900       1.696600       1.846300    
 C   -4.689100       2.155800      -1.663000    
 C    5.702400       1.521200      0.1332000    
 C    4.755900       2.542000      0.3427000    
 H   0.8194000      -2.756500      0.3433000    
 H   0.7999000      -2.431300      -1.361600    
 H   -3.085900     -0.6466000       1.973600    
 H  -0.7983000     -0.9750000      -2.414100    
 H   -3.009500     -2.4700001E-02  -2.333000    
 H   0.7624000      0.9590000      0.1487000    
 H   -6.322000      0.3668000      0.9835000    
 H   -5.075300     -0.4754000       1.817500    
 H   -5.087600      7.1599998E-02  -2.147800    
 H   -6.275200      0.8373000      -1.149200    
 H  -0.5809000      -2.833800       2.175400    
 H   0.2783000      -1.273500       2.343900    
 H   -1.300500      -1.501500       3.074900    
 H    6.017400     -0.5830000     -0.2595000    
 H    2.661500       3.058200      0.4871000    
 H   -5.386400       1.732200       2.831100    
 H   -5.278300       2.553600       1.276500    
 H   -3.831900       1.826700       1.990800    
 H   -5.151600       2.489300      -2.598000    
 H   -3.604800       2.198000      -1.797300    
 H   -4.951800       2.887400     -0.8941000    
 H    6.762000       1.761800      0.1521000    
 H    5.096900       3.558600      0.5206000    


%chk=000117033-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117033

0 1
O 3.711424 -2.523888 -0.220792
N -4.672559 0.245565 -0.090584
C 0.712495 -1.917909 -0.571239
C -0.694268 -1.358405 -0.420319
C 1.817716 -0.920254 -0.315440
C -3.360034 -0.249794 -0.201776
C -1.318004 -1.217759 0.855607
C -2.617269 -0.670544 0.947731
C -1.418623 -0.929083 -1.557215
C -2.712299 -0.380882 -1.470077
C 4.056577 -0.072458 0.037752
C 3.124682 1.007658 0.028016
C 3.269989 -1.342582 -0.174292
C 1.760212 0.446839 -0.191406
C -5.311920 0.412606 1.228505
C -5.396974 0.733817 -1.279870
C -0.605984 -1.656850 2.125705
C 5.426227 0.134193 0.222444
C 3.572195 2.324506 0.206139
C -4.879942 1.681435 2.007122
C -4.994252 2.156037 -1.745188
C 5.885789 1.472361 0.403091
C 4.969741 2.546326 0.394368
H 0.877348 -2.787324 0.096280
H 0.845428 -2.322385 -1.595802
H -3.057033 -0.579982 1.945678
H -0.954949 -1.024776 -2.547600
H -3.211754 -0.067634 -2.390722
H 0.846942 1.045096 -0.243228
H -6.405822 0.442344 1.068065
H -5.117070 -0.486126 1.845639
H -5.258948 0.016964 -2.112775
H -6.476975 0.722179 -1.041796
H -0.399571 -2.744714 2.119288
H 0.369255 -1.148184 2.243394
H -1.212962 -1.438072 3.020838
H 6.122479 -0.711460 0.226759
H 2.874457 3.169272 0.202288
H -5.362593 1.704624 3.002432
H -5.168899 2.598466 1.463892
H -3.786129 1.703759 2.153595
H -5.538302 2.428359 -2.669240
H -3.911518 2.211738 -1.952437
H -5.231425 2.907804 -0.971880
H 6.953241 1.669085 0.549119
H 5.337685 3.569128 0.534331


