%chk=000068992.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068992

0 1
 O  -0.7839000      -1.103200       2.485900    
 O   0.1020000      0.9631000       2.745800    
 C   1.6899999E-02  4.5100000E-02  0.4351000    
 C    1.142400      0.9131000     -1.6899999E-02
 C   -1.447300      0.5257000      2.0800000E-02
 C   0.3307000      -1.413400     -8.6099997E-02
 C  -0.1770000      2.1299999E-02   2.014700    
 C    1.026000       1.647900      -1.196800    
 C   -1.621400       1.854100     -0.1069000    
 C    1.046400      -2.213200      0.7374000    
 C    2.311400      0.9904000      0.7404000    
 C   -2.361400     -0.4452000     -0.1601000    
 C  -0.1437000      -1.737400      -1.310700    
 C    2.078400       2.459800      -1.619600    
 C   -2.901000       2.274500     -0.4694000    
 C    1.323100      -3.500700      0.2776000    
 C    3.363700       1.802500      0.3176000    
 C   -3.641100     -2.4800001E-02 -0.5226000    
 C   0.1330000      -3.025100      -1.770400    
 C    3.247200       2.537200     -0.8624000    
 C   -3.910800       1.335000     -0.6773000    
 C   0.8665000      -3.906600     -0.9762000    
 H   0.1731000       1.562700      -1.863300    
 H  -0.8871000       2.614100      0.1269000    
 H    1.451400      -1.914100       1.696300    
 H    2.442900      0.4194000       1.654800    
 H   -2.226100      -1.500800      3.5500001E-02
 H  -0.6519000      -1.055600      -1.982200    
 H    1.995600       3.017800      -2.547800    
 H   -3.117000       3.334200     -0.5700000    
 H    1.903500      -4.183800      0.8910000    
 H    4.275900       1.859200      0.9043000    
 H   -4.433600     -0.7543000     -0.6633000    
 H  -0.2074000      -3.335800      -2.753900    
 H    4.068600       3.165400      -1.194300    
 H   -4.909700       1.662800     -0.9502000    
 H    1.087400      -4.906900      -1.336900    
 H  -0.9285000      -1.060000       3.455000    


%chk=000068992-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068992

0 1
O -0.902792 -1.211580 2.470529
O -0.029856 0.893124 2.843305
C -0.070960 -0.016398 0.506995
C 1.105262 0.902246 0.073750
C -1.464742 0.529119 0.056580
C 0.274725 -1.420418 -0.060086
C -0.272865 -0.035407 2.042546
C 1.178691 1.306703 -1.285596
C -1.673551 1.920754 -0.112959
C 1.184802 -2.256340 0.634605
C 2.173934 1.248727 0.936308
C -2.579229 -0.343977 -0.042192
C -0.173574 -1.831108 -1.339518
C 2.277354 2.046735 -1.766740
C -2.956970 2.423693 -0.420375
C 1.615896 -3.479000 0.080559
C 3.278120 1.988748 0.454366
C -3.861089 0.157833 -0.351970
C 0.257512 -3.054248 -1.899212
C 3.337190 2.393664 -0.896734
C -4.055829 1.544676 -0.549058
C 1.152338 -3.887176 -1.191561
H 0.372685 1.036221 -1.976622
H -0.834562 2.613701 0.002804
H 1.563427 -1.954259 1.617817
H 2.145100 0.967828 1.991741
H -2.444583 -1.414577 0.140368
H -0.865622 -1.198513 -1.905133
H 2.308511 2.347383 -2.820065
H -3.097835 3.502501 -0.550125
H 2.315238 -4.111697 0.638610
H 4.090681 2.250719 1.141442
H -4.708215 -0.532797 -0.430130
H -0.104243 -3.352628 -2.889711
H 4.193873 2.967571 -1.267244
H -5.051622 1.935243 -0.786977
H 1.486774 -4.836334 -1.624862
H -1.126770 -1.116333 3.436347


