%chk=000071040.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071040

0 1
 O   -3.704700       1.644700      6.8000001E-03
 O   -1.640700       1.918600     -0.9749000    
 N   0.1504000      0.1736000      0.1950000    
 C    2.517000      0.7084000      0.4683000    
 C    1.503600     -6.1700001E-02 -0.1092000    
 C    3.853000      0.4597000      0.1535000    
 C  -0.9788000     -0.6738000      0.2459000    
 C    1.836800      -1.082500      -1.003700    
 C    4.180900     -0.5600000     -0.7399000    
 C    2.169600       1.803700       1.427100    
 C   -2.254600     -0.1846000     -3.4200002E-02
 C    3.172800      -1.331200      -1.318500    
 C    4.951800       1.270200      0.7590000    
 C  -0.8050000      -2.016300      0.5822000    
 C   -3.356700      -1.037800      2.2100000E-02
 C   -1.907100      -2.869500      0.6385000    
 C   -3.182900      -2.380300      0.3585000    
 C   -2.469600       1.212800     -0.3890000    
 C   -4.035900       3.006100     -0.2875000    
 H  -6.4099997E-02   1.148500      0.3797000    
 H    1.074300      -1.684100      -1.491000    
 H    5.216400     -0.7673000     -0.9965000    
 H    1.927200       2.718900      0.8775000    
 H    1.314600       1.532200       2.055900    
 H    2.973300       2.027400       2.134100    
 H    3.427900      -2.121600      -2.018400    
 H    5.042900       1.057300       1.829000    
 H    5.920000       1.041100      0.2993000    
 H    4.779900       2.340900      0.6068000    
 H   0.1719000      -2.421800      0.8308000    
 H   -4.362300     -0.6932000     -0.2044000    
 H   -1.772800      -3.913600      0.9055000    
 H   -4.040400      -3.045500      0.4005000    
 H   -4.024700       3.171300      -1.368900    
 H   -3.336200       3.681200      0.2141000    
 H   -5.043900       3.200200      8.8200003E-02


%chk=000071040-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071040

0 1
O -3.830444 1.654712 -0.181664
O -1.573311 2.186604 -0.068038
N 0.163088 0.158687 0.026247
C 2.515418 0.696751 0.414462
C 1.535344 -0.167582 -0.170713
C 3.896821 0.439870 0.174732
C -0.929944 -0.694849 0.138195
C 1.932050 -1.258929 -0.987554
C 4.274777 -0.669518 -0.624284
C 2.054558 1.867478 1.267605
C -2.273406 -0.151686 0.090813
C 3.300036 -1.510984 -1.202618
C 4.980394 1.329846 0.765096
C -0.786736 -2.103409 0.349067
C -3.392430 -1.025634 0.208749
C -1.909894 -2.933534 0.471421
C -3.227212 -2.405959 0.387402
C -2.486492 1.296993 -0.055742
C -4.094968 3.105019 -0.314274
H -0.097494 1.161404 0.036319
H 1.175003 -1.873791 -1.482558
H 5.338894 -0.864865 -0.800297
H 1.609318 2.675566 0.652597
H 1.276929 1.551620 1.987280
H 2.885450 2.313012 1.835535
H 3.604354 -2.350255 -1.837855
H 4.967184 1.317197 1.871926
H 5.979832 0.993021 0.441606
H 4.863195 2.384288 0.451906
H 0.214632 -2.528394 0.450321
H -4.391537 -0.584084 0.163315
H -1.761716 -4.005693 0.645520
H -4.097003 -3.063753 0.476661
H -3.587532 3.508080 -1.206652
H -3.735998 3.644464 0.578403
H -5.187258 3.180309 -0.410728


