%chk=000160355.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160355

0 1
 O    5.470500      -1.879800       1.387900    
 N    1.747600       2.693000     -0.1591000    
 N    2.059000      -2.043000      4.6100002E-02
 N    2.115000      0.2939000     -5.8600001E-02
 N  -0.4808000       2.741000     -0.1119000    
 N   1.8000000E-03 -0.9228000      4.2399999E-02
 N   -2.119900      0.1841000      3.7700001E-02
 C    3.106900       3.174300     -0.2096000    
 C    3.506600      -2.132500      1.4700000E-02
 C    1.342600       1.390200     -9.1399997E-02
 C  -4.1900001E-02   1.441700     -6.3500002E-02
 C    3.931700      -3.538300     -0.4276000    
 C  -0.7152000      0.2262000      5.7000001E-03
 C    1.368300     -0.8468000      9.3000000E-03
 C   0.6169000       3.466100     -0.1683000    
 C    3.888200       2.816300       1.056000    
 C    3.833300       2.706000      -1.471900    
 C    4.049000      -1.813300       1.408000    
 C    3.393500      -3.910100      -1.803500    
 C   -2.863700      -1.038400      0.1088000    
 C   -4.340900     -0.7586000      9.1100000E-02
 C   -5.015500     -0.5606000       1.288900    
 C   -5.013300     -0.7019000      -1.122900    
 C   -6.386100     -0.3015000       1.272500    
 C   -6.383700     -0.4427000      -1.139300    
 C   -7.070000     -0.2425000      5.8400001E-02
 H    3.045200       4.269700     -0.2559000    
 H    3.924000      -1.426400     -0.7157000    
 H    3.584300      -4.285800      0.2967000    
 H    5.025600      -3.607200     -0.4567000    
 H    1.510300      -2.886700      0.1662000    
 H   0.6515000       4.546000     -0.2170000    
 H    4.058300       1.738500       1.143500    
 H    4.868100       3.305700       1.051700    
 H    3.352400       3.144000       1.953700    
 H    3.260500       2.960100      -2.370700    
 H    4.813700       3.188000      -1.550300    
 H    3.996300       1.623300      -1.475200    
 H    3.761700     -0.8145000       1.750700    
 H    3.686400      -2.532400       2.150600    
 H   -2.607600       1.073300      1.1500000E-02
 H    3.781300      -4.888600      -2.104800    
 H    2.301100      -3.971800      -1.810000    
 H    3.703200      -3.178100      -2.556200    
 H   -2.607300      -1.694800     -0.7327000    
 H   -2.606200      -1.591900       1.021000    
 H    5.785100      -1.215200      0.7514000    
 H   -4.492000     -0.6024000       2.239900    
 H   -4.488100     -0.8544000      -2.061600    
 H   -6.920500     -0.1451000       2.205100    
 H   -6.916400     -0.3963000      -2.084700    
 H   -8.137000     -4.0399998E-02  4.5499999E-02


%chk=000160355-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160355

0 1
O 5.520728 -2.025302 0.784717
N 1.853070 2.874774 -0.067814
N 1.768475 -1.938367 0.329480
N 2.036995 0.392739 0.093644
N -0.368937 3.113432 0.480931
N -0.121629 -0.638697 0.733469
N -2.073800 0.652999 1.141446
C 3.237082 3.262025 -0.446429
C 3.164216 -2.214912 -0.039886
C 1.366014 1.581619 0.161053
C -0.002484 1.755483 0.497202
C 3.300485 -3.645058 -0.604044
C -0.747104 0.571814 0.797342
C 1.217984 -0.673260 0.386993
C 0.765992 3.747800 0.138871
C 4.233719 2.866569 0.666865
C 3.614527 2.653773 -1.816153
C 4.101932 -1.988708 1.178109
C 2.619912 -3.838917 -1.975614
C -2.905890 -0.504527 1.489846
C -4.119263 -0.675214 0.578706
C -5.385934 -0.997357 1.124425
C -3.991171 -0.546358 -0.828059
C -6.504635 -1.197642 0.282870
C -5.106870 -0.743038 -1.670440
C -6.368198 -1.071171 -1.118204
H 3.219902 4.365916 -0.536534
H 3.449026 -1.479289 -0.820149
H 2.883638 -4.364922 0.132604
H 4.381162 -3.868263 -0.678992
H 1.139540 -2.706760 0.564368
H 0.870679 4.824850 0.022901
H 4.238090 1.771085 0.799370
H 5.252559 3.196916 0.395846
H 3.959384 3.334253 1.628714
H 2.906607 2.974917 -2.600337
H 4.629310 2.980119 -2.106506
H 3.597990 1.552019 -1.758664
H 3.846053 -1.026408 1.663200
H 3.993895 -2.807106 1.910606
H -2.483475 1.589759 1.148483
H 2.724675 -4.881504 -2.326965
H 1.541118 -3.601228 -1.932061
H 3.075190 -3.178729 -2.737387
H -2.239200 -1.383760 1.418428
H -3.241584 -0.428243 2.543487
H 5.706954 -1.233631 0.218736
H -5.499136 -1.090682 2.212229
H -3.015249 -0.288925 -1.255630
H -7.479076 -1.444884 0.719286
H -4.995216 -0.641505 -2.756045
H -7.234254 -1.221896 -1.772417


