%chk=000106548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106548

0 1
 O  -0.7839000     -2.4100000E-02  4.1499998E-02
 O   -5.692200      0.1729000     -4.3200001E-02
 O   -3.153400       2.447900      0.3596000    
 O   0.4661000     -3.3599999E-02  -1.897100    
 N    7.886600      8.9999996E-03  3.8899999E-02
 C   -3.255900      1.9000000E-03  0.1566000    
 C   -3.337000      -1.254900       1.074300    
 C   -1.987100     -9.8999999E-03 -0.7334000    
 C   -4.482600      9.1300003E-02 -0.7856000    
 C   -3.225400       1.235900       1.100400    
 C   -3.386200      -2.597300      0.3548000    
 C    2.904200     -6.9999998E-04 -0.4243000    
 C    1.548300     -1.5300000E-02  0.2814000    
 C    4.077100      1.0600000E-02  0.5619000    
 C   0.3781000     -3.5100002E-02 -0.6769000    
 C    5.419700     -1.1700000E-02 -0.1761000    
 C    6.623800      1.3200000E-02  0.7671000    
 H   -4.222600      -1.183000       1.718800    
 H   -2.472800      -1.266400       1.751200    
 H   -1.994800     -0.8832000      -1.396600    
 H   -1.973100      0.8832000      -1.371700    
 H   -4.421900      0.9831000      -1.419900    
 H   -4.541800     -0.7763000      -1.450500    
 H   -2.356700       1.197100       1.767300    
 H   -4.123300       1.276000       1.727100    
 H   -4.269800      -2.684900     -0.2829000    
 H   -3.434500      -3.407300       1.090700    
 H   -2.494000      -2.764300     -0.2545000    
 H    2.966000      0.8784000      -1.078100    
 H    2.982400     -0.8797000      -1.076500    
 H    1.477500     -0.9046000      0.9181000    
 H    1.456000      0.8778000      0.9100000    
 H    4.009800     -0.8600000       1.225100    
 H    4.018000      0.9055000       1.192900    
 H    5.469300     -0.9099000     -0.8051000    
 H    5.472000      0.8515000     -0.8521000    
 H   -6.419100      0.2286000     -0.6865000    
 H   -3.135500       3.175800       1.004100    
 H    6.582000      0.9097000       1.395100    
 H    6.590400     -0.8561000       1.433400    
 H    8.659400     -3.4499999E-02  0.7018000    
 H    7.950500     -0.8333000     -0.5313000    


%chk=000106548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106548

0 1
O -0.835874 0.075424 0.008428
O -5.712094 -0.199485 0.168270
O -3.345519 2.447218 0.279551
O 0.420749 0.267183 -1.943874
N 7.921052 -0.278018 0.110310
C -3.281560 0.007690 0.152628
C -3.212824 -1.283718 1.023751
C -2.082015 0.123682 -0.810203
C -4.559582 0.031496 -0.721190
C -3.303453 1.224545 1.107579
C -3.223636 -2.616901 0.245072
C 2.901840 -0.017477 -0.438227
C 1.546322 0.190664 0.265213
C 4.089837 0.065815 0.545028
C 0.367413 0.182230 -0.695571
C 5.453772 -0.141530 -0.149431
C 6.645227 -0.075077 0.827449
H -4.079053 -1.269671 1.710806
H -2.295655 -1.230800 1.640805
H -2.051698 -0.705375 -1.539883
H -2.100934 1.082951 -1.355487
H -4.635058 1.020083 -1.215532
H -4.507996 -0.764755 -1.493390
H -2.389438 1.211287 1.734472
H -4.205584 1.156356 1.746955
H -4.151641 -2.736480 -0.342124
H -3.170831 -3.465492 0.951397
H -2.362147 -2.708126 -0.441594
H 3.017970 0.738357 -1.237460
H 2.905341 -1.001862 -0.945968
H 1.371851 -0.576721 1.042872
H 1.536634 1.164515 0.796618
H 3.963175 -0.692513 1.346649
H 4.082956 1.055762 1.048565
H 5.456696 -1.127795 -0.661472
H 5.605337 0.622168 -0.936132
H -6.542238 0.053358 -0.304993
H -3.344345 3.241710 0.867032
H 6.672609 0.929518 1.293256
H 6.468162 -0.807449 1.655401
H 8.758813 -0.090243 0.669449
H 7.981019 -1.179224 -0.375227


