%chk=000162146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162146

0 1
 O   -1.341000      -2.695900      0.3883000    
 N   -2.043200      0.8211000      8.5699998E-02
 N  -3.8199998E-02 -0.9050000      0.9229000    
 C   -2.445600     -0.5491000      0.4526000    
 C   -1.051700       1.329900       1.040200    
 C   -3.457700      -1.106400     -0.5608000    
 C   0.2346000      0.5225000      0.8869000    
 C   -3.206100       1.719100      3.3300001E-02
 C   -4.668500     -0.1914000     -0.7060000    
 C   -4.227600       1.236900     -0.9958000    
 C   -1.232800      -1.477300      0.5426000    
 C   0.9772000      0.8698000     -0.4048000    
 C    2.420000      0.4541000     -0.3401000    
 C    3.369300       1.344000      0.1464000    
 C    2.788100     -0.8153000     -0.7679000    
 C    4.708600      0.9584000      0.2060000    
 C    4.127300      -1.201000     -0.7082000    
 C    5.087500     -0.3142000     -0.2213000    
 H   -2.907400     -0.5504000       1.450600    
 H   -1.429600       1.250600       2.068700    
 H  -0.8381000       2.390900      0.8603000    
 H   -3.798000      -2.102400     -0.2520000    
 H   -2.975600      -1.233200      -1.539600    
 H   0.8726000      0.7340000       1.754300    
 H   -2.883800       2.726600     -0.2564000    
 H   -3.683000       1.800300       1.019100    
 H   -5.255500     -0.2128000      0.2204000    
 H   -5.320100     -0.5544000      -1.508400    
 H   -3.790400       1.288800      -2.001100    
 H   -5.099300       1.901000     -0.9918000    
 H   0.7462000      -1.529000       1.085400    
 H   0.9410000       1.952500     -0.5849000    
 H   0.4983000      0.4103000      -1.279900    
 H    3.085200       2.336800      0.4841000    
 H    2.050700      -1.513800      -1.153300    
 H    5.456200       1.648600      0.5857000    
 H    4.422600      -2.191500      -1.041800    
 H    6.130100     -0.6145000     -0.1749000    


%chk=000162146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000162146

0 1
O -1.153723 -2.623243 0.875970
N -2.077837 0.878255 0.164119
N 0.037496 -0.654643 1.128597
C -2.383774 -0.533546 0.521901
C -1.161104 1.483979 1.150723
C -3.206763 -1.209509 -0.598439
C 0.221550 0.809192 1.056635
C -3.317203 1.671166 -0.039297
C -4.505539 -0.418471 -0.859277
C -4.183793 1.063925 -1.159952
C -1.119461 -1.354039 0.839301
C 0.990031 1.234545 -0.236481
C 2.365047 0.594974 -0.337133
C 3.495806 1.217551 0.255241
C 2.545700 -0.657755 -0.981347
C 4.769542 0.607684 0.209408
C 3.817999 -1.272497 -1.028213
C 4.934639 -0.642510 -0.431618
H -3.002699 -0.566671 1.462291
H -1.548976 1.390743 2.197826
H -1.053081 2.560900 0.928140
H -3.413290 -2.251419 -0.300332
H -2.590956 -1.241425 -1.517547
H 0.823061 1.118471 1.935813
H -3.024392 2.705922 -0.299322
H -3.921424 1.721560 0.905672
H -5.160929 -0.479198 0.034719
H -5.066025 -0.869748 -1.699168
H -3.630505 1.135357 -2.116235
H -5.114364 1.654166 -1.264349
H 0.864153 -1.235907 1.299886
H 1.087394 2.337697 -0.216051
H 0.351688 0.969655 -1.098515
H 3.378083 2.191747 0.747340
H 1.685585 -1.149009 -1.452281
H 5.631446 1.106361 0.667418
H 3.937254 -2.238867 -1.530958
H 5.921665 -1.116796 -0.469985


