%chk=000039062.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039062

0 1
 O   -3.461300       1.565000      -1.070400    
 N    2.599300      -1.648200      0.2196000    
 N   -3.736500     -0.3781000      0.2361000    
 C    1.070600     -4.8000000E-02 -0.8966000    
 C    2.346600     -0.9348000      -1.044700    
 C  -8.2300000E-02 -0.7756000     -0.2212000    
 C    1.520700      -2.575500      0.5801000    
 C   0.1439000      -1.958800      0.5038000    
 C    1.404700       1.285400     -0.2296000    
 C    2.235000      -1.843600      -2.283700    
 C   -1.384400     -0.2562000     -0.3038000    
 C    3.900400      -2.308100      0.2625000    
 C  -0.9357000      -2.608400       1.119700    
 C   -2.447800     -0.9059000      0.3214000    
 C    1.341400       1.395400       1.153900    
 C    1.768500       2.373000      -1.013800    
 C   -2.223500      -2.081200       1.032600    
 C    1.646400       2.612600       1.763000    
 C    2.073700       3.590100     -0.4046000    
 C    2.012800       3.709800      0.9839000    
 C   -4.154300      0.7830000     -0.4278000    
 C   -5.638300       1.008100     -0.2804000    
 H   0.7156000      0.1863000      -1.911800    
 H    3.198800     -0.2673000      -1.235300    
 H    1.685000      -2.908100       1.613100    
 H    1.534800      -3.466600     -6.0500000E-02
 H    1.384400      -2.529700      -2.226200    
 H    2.104100      -1.235500      -3.186000    
 H    3.142900      -2.436700      -2.430100    
 H   -1.498100      0.6569000     -0.8723000    
 H    3.968600      -3.155500     -0.4276000    
 H    4.103100      -2.680600       1.273000    
 H    4.703100      -1.601300      2.5200000E-02
 H  -0.7767000      -3.532400       1.670400    
 H    1.075100      0.5582000       1.791400    
 H    1.821900       2.290700      -2.095700    
 H   -3.043200      -2.601200       1.522100    
 H    1.602500       2.705200       2.844300    
 H    2.359800       4.444400      -1.011200    
 H   -4.456600     -0.9106000      0.7200000    
 H    2.251500       4.657200       1.458200    
 H   -6.184700      0.1737000     -0.7289000    
 H   -5.924900       1.934100     -0.7865000    
 H   -5.898100       1.088400      0.7789000    


%chk=000039062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039062

0 1
O -3.624449 1.447517 -1.283275
N 2.591094 -1.623552 0.188079
N -3.832276 -0.390046 0.165951
C 1.073922 0.001875 -0.908417
C 2.298961 -0.950407 -1.103808
C -0.081919 -0.733393 -0.224483
C 1.528840 -2.535466 0.642416
C 0.143713 -1.915934 0.525153
C 1.477259 1.293516 -0.186411
C 2.074229 -1.915277 -2.303422
C -1.392460 -0.211029 -0.354950
C 3.936879 -2.204187 0.299686
C -0.960286 -2.552532 1.144617
C -2.488165 -0.857679 0.263226
C 1.702704 1.328141 1.213848
C 1.671807 2.482995 -0.934218
C -2.261158 -2.037310 1.024851
C 2.122462 2.520130 1.844984
C 2.089622 3.678071 -0.305456
C 2.318667 3.699955 1.089285
C -4.337899 0.687361 -0.565588
C -5.851852 0.866585 -0.426067
H 0.731994 0.295121 -1.921626
H 3.179035 -0.317820 -1.329651
H 1.729839 -2.800341 1.700331
H 1.534945 -3.507029 0.077678
H 1.138524 -2.492032 -2.190275
H 2.004371 -1.343098 -3.246619
H 2.912864 -2.628482 -2.406238
H -1.568922 0.697705 -0.934884
H 4.100065 -3.106111 -0.342620
H 4.125553 -2.504245 1.347514
H 4.690820 -1.445868 0.023672
H -0.796756 -3.466990 1.728477
H 1.555335 0.415748 1.799098
H 1.487116 2.474960 -2.016360
H -3.101300 -2.547684 1.514067
H 2.293375 2.531108 2.927932
H 2.228662 4.588748 -0.899496
H -4.518444 -0.932277 0.696691
H 2.638852 4.625413 1.581711
H -6.397519 -0.013965 -0.813838
H -6.152754 1.750430 -1.006265
H -6.146553 1.016974 0.629199


