%chk=000045006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045006

0 1
 O  -0.5986000       1.588200     -0.6667000    
 O   0.8282000      -1.103200      -2.120200    
 O    1.274200       2.901400      0.9493000    
 N    1.651400     -0.9692000      6.3600004E-02
 C    3.054100      -1.144700     -0.2855000    
 C    1.370100     -0.7997000       1.487600    
 C   0.6336000     -0.9633000     -0.9064000    
 C  -0.7476000     -0.7985000     -0.4753000    
 C   -1.318500      0.4698000     -0.3698000    
 C    3.723800      0.1919000     -0.5564000    
 C    1.123500      -2.138700       2.161700    
 C   -1.501600      -1.930600     -0.1661000    
 C   -2.643400      0.6059000      4.5000002E-02
 C   -2.826400      -1.794400      0.2487000    
 C   -3.397200     -0.5262000      0.3543000    
 C  -0.9360000       2.781300      3.7500001E-02
 C   0.3104000       3.630100      0.1987000    
 H    3.570300      -1.687000      0.5136000    
 H    3.113100      -1.758000      -1.191700    
 H    2.217700     -0.2908000       1.960500    
 H   0.5020000     -0.1527000       1.637100    
 H    3.221400      0.7267000      -1.369300    
 H    3.698700      0.8348000      0.3293000    
 H    4.770000      4.2500000E-02 -0.8402000    
 H   0.2820000      -2.680700       1.728000    
 H    2.003700      -2.785300       2.081600    
 H   0.9143000      -1.989400       3.225800    
 H   -1.072900      -2.925500     -0.2555000    
 H   -3.139200       1.569800      0.1106000    
 H   -3.414700      -2.676100      0.4853000    
 H   -4.431300     -0.4214000      0.6697000    
 H   -1.692100       3.334500     -0.5299000    
 H   -1.313200       2.558200       1.043900    
 H   9.2900001E-02   4.569400      0.7153000    
 H   0.7568000       3.853500     -0.7749000    
 H   0.8850000       2.708000       1.819100    


%chk=000045006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045006

0 1
O -0.351995 1.302348 -0.059543
O 0.817374 -1.664699 -2.005600
O 1.419307 3.044590 1.552239
N 1.544338 -1.090597 0.131039
C 2.953155 -1.151436 -0.331118
C 1.302285 -0.715083 1.541395
C 0.552828 -1.266691 -0.820864
C -0.891436 -0.992712 -0.444142
C -1.353904 0.318918 -0.134026
C 3.439116 0.213730 -0.867259
C 1.746914 -1.806658 2.540219
C -1.844041 -2.027020 -0.581621
C -2.731955 0.574597 0.064766
C -3.220858 -1.789052 -0.368726
C -3.659612 -0.486317 -0.046175
C -0.727112 2.670708 0.299133
C 0.570207 3.471544 0.433977
H 3.581855 -1.484478 0.513428
H 3.012073 -1.910032 -1.129742
H 1.813334 0.244958 1.750677
H 0.224191 -0.534726 1.668402
H 2.849143 0.499872 -1.754652
H 3.332423 1.006380 -0.104633
H 4.503395 0.153046 -1.161453
H 1.206812 -2.751923 2.353570
H 2.830637 -2.012089 2.479718
H 1.527392 -1.479276 3.573581
H -1.491037 -3.022203 -0.871938
H -3.090487 1.583767 0.289130
H -3.941571 -2.606988 -0.467927
H -4.725739 -0.285946 0.108452
H -1.361941 3.112890 -0.498457
H -1.302299 2.679412 1.251272
H 0.314529 4.550538 0.514338
H 1.191999 3.318929 -0.462344
H 0.925180 3.162299 2.403185


