%chk=000159827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159827

0 1
 O    9.472900      0.6055000     -0.2955000    
 N    8.215100       1.158800     -0.5492000    
 C   -4.985500     -0.7362000     -0.4976000    
 C   -6.134100      0.1728000      -1.014400    
 C   -6.462100       1.292500     -4.3099999E-02
 C   -3.819900      9.6299998E-02  8.6700000E-02
 C   -5.241000       2.175200      0.1664000    
 C   -3.941100       1.420200      0.3582000    
 C   -4.540400      -1.591300      -1.709200    
 C   -5.543400      -1.680800      0.5919000    
 C   -2.593300     -0.6382000      0.3491000    
 C   -2.842800       2.319400      0.8772000    
 C   -1.371400     -0.1324000      0.1189000    
 C  -8.7099999E-02 -0.8014000      0.3537000    
 C  -0.1320000      -2.202700      0.9102000    
 C    1.046700     -0.1292000      5.9400000E-02
 C    2.413900     -0.5880000      0.2093000    
 C    3.472800      0.1717000     -0.1181000    
 C    4.870700     -0.2288000      2.6699999E-02
 C    5.026000      -1.595600      0.6377000    
 C    5.866400      0.6035000     -0.3296000    
 C    7.309600      0.3088000     -0.1888000    
 H   -7.037400     -0.4204000      -1.205300    
 H   -5.853700      0.6205000      -1.978300    
 H   -6.799700      0.8822000      0.9156000    
 H   -7.289300       1.897000     -0.4326000    
 H   -5.439800       2.812700       1.036600    
 H   -5.123100       2.842800     -0.6969000    
 H   -4.078600     -0.9695000      -2.485100    
 H   -3.814200      -2.360700      -1.423800    
 H   -5.395000      -2.109200      -2.160300    
 H   -6.446100      -2.195200      0.2422000    
 H   -4.823300      -2.459000      0.8675000    
 H   -5.804200      -1.137700       1.506800    
 H   -2.710000      -1.627500      0.7785000    
 H   -2.305000       2.791800      4.9400002E-02
 H   -2.146200       1.813900       1.550500    
 H   -3.266300       3.128500       1.484600    
 H   -1.276400      0.8339000     -0.3701000    
 H  -0.6831000      -2.865900      0.2337000    
 H  -0.6255000      -2.210200       1.888500    
 H   0.8503000      -2.656300       1.054500    
 H   0.9602000      0.8826000     -0.3389000    
 H    2.543900      -1.584500      0.6093000    
 H    3.303900       1.169600     -0.5207000    
 H    4.577500      -1.639300       1.637100    
 H    6.068500      -1.891900      0.7701000    
 H    4.579200      -2.367600      3.9999999E-04
 H    5.639100       1.580300     -0.7509000    
 H    7.590900     -0.6662000      0.2368000    
 H    10.06340       1.315800     -0.5985000    


%chk=000159827-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159827

0 1
O 9.626555 0.668969 -0.432941
N 8.255463 1.166068 -0.591049
C -5.013562 -0.723493 -0.498634
C -6.208669 0.115366 -1.039288
C -6.624323 1.244953 -0.082516
C -3.887743 0.196936 0.060525
C -5.445733 2.218403 0.104241
C -4.105768 1.531365 0.355247
C -4.475347 -1.577422 -1.684027
C -5.515265 -1.682182 0.624976
C -2.606977 -0.494282 0.300948
C -3.063628 2.448128 0.976304
C -1.329380 -0.006901 0.113453
C -0.093161 -0.741343 0.359219
C -0.178425 -2.157296 0.900977
C 1.117041 -0.105323 0.085814
C 2.447522 -0.630620 0.253311
C 3.592412 0.090121 -0.054926
C 4.960578 -0.375560 0.090705
C 5.201156 -1.777121 0.627168
C 5.990767 0.488597 -0.270356
C 7.405967 0.219964 -0.201606
H -7.059015 -0.567083 -1.236803
H -5.922056 0.561258 -2.014004
H -6.919670 0.824376 0.898056
H -7.505995 1.784280 -0.478319
H -5.653947 2.915741 0.940599
H -5.349760 2.861726 -0.799057
H -4.046295 -0.931280 -2.471759
H -3.689636 -2.286618 -1.367845
H -5.300917 -2.164659 -2.130609
H -6.275125 -2.378494 0.221334
H -4.692792 -2.292366 1.040827
H -5.967649 -1.120019 1.461046
H -2.696261 -1.544984 0.613983
H -2.563561 3.079189 0.212676
H -2.276620 1.891557 1.510737
H -3.546615 3.144099 1.688426
H -1.205893 1.007314 -0.289139
H -0.743510 -2.810243 0.208028
H -0.710583 -2.177383 1.871019
H 0.812364 -2.611810 1.052156
H 1.058095 0.923036 -0.305185
H 2.559231 -1.649604 0.644534
H 3.466196 1.111060 -0.447014
H 4.761790 -1.891192 1.636180
H 6.270586 -2.027277 0.699216
H 4.723311 -2.533258 -0.024045
H 5.723506 1.484516 -0.649788
H 7.789501 -0.744541 0.163642
H 10.171839 1.435933 -0.745832


