%chk=000176540.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176540

0 1
 O   9.1700003E-02   1.600100     -0.8118000    
 N    2.947700       1.231900      0.1749000    
 C  -0.4791000      0.2982000     -0.9408000    
 C   0.3696000     -0.8495000     -0.3942000    
 C    1.950200      0.6059000       1.061100    
 C    1.448300     -0.7150000      0.5074000    
 C    2.380900       2.292800     -0.6789000    
 C    1.263200       1.804700      -1.596700    
 C   -1.859200      0.3501000     -0.3053000    
 C   2.7000001E-02  -2.144100     -0.8470000    
 C    2.150500      -1.874300      0.9044000    
 C    4.063000       1.776800      0.9544000    
 C   0.7270000      -3.275400     -0.4321000    
 C    1.792500      -3.139900      0.4443000    
 C   -2.872700     -0.4778000     -0.7813000    
 C   -2.103700       1.225700      0.7496000    
 C   -4.139200     -0.4298000     -0.1986000    
 C   -3.370000       1.273700       1.332400    
 C   -4.387800      0.4459000      0.8582000    
 H  -0.6221000      0.1372000      -2.019700    
 H    1.124000       1.277700       1.321200    
 H    2.399100      0.3854000       2.041100    
 H    3.179200       2.688700      -1.318800    
 H    2.011700       3.118800     -5.6800000E-02
 H    1.027500       2.588500      -2.324700    
 H    1.567500      0.9153000      -2.161700    
 H  -0.7793000      -2.286500      -1.561500    
 H    2.995800      -1.793500       1.585400    
 H    4.558300      0.9829000       1.524800    
 H    3.735200       2.554900       1.653200    
 H    4.826400       2.203300      0.2938000    
 H   0.4453000      -4.256500     -0.8026000    
 H    2.348900      -4.014300      0.7678000    
 H   -2.710000      -1.148700      -1.618900    
 H   -1.329000       1.873300       1.149400    
 H   -4.933400      -1.070100     -0.5713000    
 H   -3.563300       1.953500       2.157200    
 H   -5.374000      0.4839000       1.311500    


%chk=000176540-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176540

0 1
O 0.148347 1.562320 -1.162487
N 2.761128 1.172454 0.511788
C -0.543122 0.259655 -1.163811
C 0.340866 -0.919988 -0.750993
C 1.587966 0.436720 1.086802
C 1.289636 -0.846720 0.308399
C 2.435448 2.155010 -0.546955
C 1.535216 1.614208 -1.665619
C -1.791338 0.436832 -0.278402
C 0.191446 -2.133494 -1.469866
C 2.037626 -2.008018 0.627212
C 3.629213 1.776810 1.542118
C 0.936233 -3.284339 -1.135638
C 1.866128 -3.220903 -0.073290
C -2.504003 -0.693373 0.195765
C -2.279897 1.732756 0.023943
C -3.683121 -0.531926 0.957372
C -3.457285 1.892745 0.788919
C -4.165833 0.762571 1.257520
H -0.895476 0.055634 -2.201473
H 0.688807 1.083797 1.152075
H 1.863909 0.151547 2.118817
H 3.391801 2.492586 -0.996439
H 1.926893 3.064462 -0.132424
H 1.545544 2.320022 -2.518266
H 1.886894 0.624629 -2.010019
H -0.519013 -2.171375 -2.305836
H 2.776482 -1.949381 1.435711
H 3.947577 1.005361 2.265393
H 3.142034 2.608303 2.112718
H 4.538072 2.187325 1.064231
H 0.799304 -4.213114 -1.700363
H 2.456590 -4.102954 0.198873
H -2.130693 -1.701219 -0.016262
H -1.725002 2.601737 -0.338352
H -4.219723 -1.416171 1.320076
H -3.821932 2.900912 1.017845
H -5.079020 0.888379 1.850319


