%chk=000047542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047542

0 1
 O   -3.187600     -0.5938000      0.9414000    
 O   -2.726100     -0.3028000      -1.406500    
 N   0.5647000      -2.410300      0.2378000    
 C   -3.005300      -1.243900     -0.3406000    
 C   -1.825700      -2.209200     -0.2284000    
 C  -0.5484000      -1.472100      0.1555000    
 C   -4.289100      -1.997100     -0.6861000    
 C    1.816100      -1.702900      0.5150000    
 C   -3.013700      0.7149000      0.6068000    
 C   -2.750300      0.8809000     -0.7335000    
 C    2.118700     -0.6767000     -0.5775000    
 C   0.3133000      -3.419500       1.268200    
 C    3.417300      4.3800000E-02 -0.3156000    
 C   -3.083100       1.787400       1.471600    
 C   -2.541300       2.128800      -1.283500    
 C   -2.875700       3.062500      0.9402000    
 C   -2.606300       3.232200     -0.4294000    
 C    3.409000       1.212600      0.4309000    
 C    4.598500     -0.4744000     -0.8249000    
 C    4.610100       1.879000      0.6735000    
 C    5.799600      0.1921000     -0.5821000    
 C    5.805300       1.368700      0.1671000    
 H   -1.676200      -2.730400      -1.182800    
 H   -2.090800      -2.951900      0.5315000    
 H  -0.6660000     -0.9297000       1.101400    
 H  -0.3809000     -0.7413000     -0.6363000    
 H   -5.130900      -1.300100     -0.7701000    
 H   -4.201000      -2.513700      -1.647700    
 H   -4.548000      -2.722700      9.2000000E-02
 H    1.778500      -1.210300       1.496500    
 H    2.641800      -2.425600      0.5550000    
 H    1.355900      0.1042000     -0.6554000    
 H    2.158600      -1.162800      -1.561300    
 H    1.213100      -4.023000       1.439600    
 H  -0.4488000      -4.140600      0.9580000    
 H   2.4900001E-02  -2.976500       2.228600    
 H   -3.290500       1.652000       2.526900    
 H   -2.333400       2.255000      -2.339800    
 H   -2.922200       3.932300       1.589800    
 H   -2.447300       4.231600     -0.8251000    
 H    2.484100       1.617000      0.8325000    
 H    4.604400      -1.391000      -1.407800    
 H    4.614800       2.794700       1.257400    
 H    6.730600     -0.2054000     -0.9758000    
 H    6.740600       1.887400      0.3563000    


%chk=000047542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047542

0 1
O -3.460352 -0.701571 0.767425
O -2.475123 0.093136 -1.280112
N 0.640503 -2.221873 0.623398
C -2.901359 -1.170510 -0.561288
C -1.676979 -2.050773 -0.309550
C -0.529933 -1.328672 0.427762
C -4.026453 -1.825654 -1.358021
C 1.924963 -1.485179 0.723582
C -3.574561 0.703051 0.673831
C -2.995748 1.170191 -0.528208
C 2.430576 -0.973387 -0.654013
C 0.445896 -3.164505 1.746448
C 3.777683 -0.277700 -0.532134
C -4.140304 1.574522 1.608563
C -2.956767 2.529756 -0.849519
C -4.110282 2.962957 1.294726
C -3.531242 3.430273 0.092054
C 3.861174 1.079667 -0.124511
C 4.984677 -0.981206 -0.780528
C 5.112981 1.716618 0.030083
C 6.239813 -0.349145 -0.627950
C 6.308573 1.003308 -0.220647
H -1.299188 -2.419399 -1.280624
H -2.019751 -2.931443 0.264870
H -0.906254 -0.925431 1.399009
H -0.220147 -0.465522 -0.185273
H -4.867419 -1.122178 -1.478591
H -3.661476 -2.116764 -2.357592
H -4.389806 -2.725027 -0.832007
H 1.865328 -0.624707 1.437115
H 2.684366 -2.179029 1.131080
H 1.684586 -0.279320 -1.085933
H 2.495059 -1.843931 -1.331541
H 1.298663 -3.864290 1.796294
H -0.468272 -3.763213 1.588763
H 0.351877 -2.655719 2.738929
H -4.583091 1.202299 2.536272
H -2.505155 2.880441 -1.781363
H -4.546343 3.677776 2.000278
H -3.523517 4.503467 -0.124971
H 2.937606 1.642183 0.063233
H 4.938152 -2.029439 -1.102103
H 5.156995 2.766791 0.341227
H 7.160960 -0.907821 -0.830454
H 7.280392 1.496375 -0.104710


