%chk=000002978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002978

0 1
 O   0.7125000       1.993200      0.4217000    
 O   0.4999000      -2.577400      -1.252200    
 C    2.886800       1.050600     -0.2762000    
 C    2.203000     -0.2154000     -0.8592000    
 C    1.911000       2.258600     -0.3264000    
 C    3.422300      0.7532000       1.143200    
 C   0.7658000     -0.3235000     -0.3746000    
 C    4.427600     -0.4001000       1.144600    
 C    3.020400      -1.463700     -0.6107000    
 C    4.027500      -1.555500      0.2729000    
 C   0.1265000      0.7702000      0.2280000    
 C    2.530400       3.511700      0.3189000    
 C    1.529500       2.641800      -1.772000    
 C   1.8900000E-02  -1.499000     -0.5687000    
 C   -1.190900      0.6644000      0.6889000    
 C    4.829400      -2.813400      0.4338000    
 C   -1.902400     -0.5194000      0.5162000    
 C   -1.300400      -1.598300     -0.1215000    
 C   -3.309500     -0.6242000      0.9976000    
 C   -4.368800     -0.1936000     -3.3799998E-02
 C   -5.795700     -0.2528000      0.5205000    
 C   -6.814400      0.2061000     -0.5235000    
 C   -8.229300      0.1866000      3.2800000E-02
 H    3.759200       1.288000     -0.9035000    
 H    2.155400     -9.0099998E-02  -1.949900    
 H    2.595300      0.5122000       1.822500    
 H    3.927200       1.628800       1.564200    
 H    4.562500     -0.7405000       2.178300    
 H    5.401200     -2.9100001E-02  0.8002000    
 H    2.831700      -2.321000      -1.251100    
 H    3.506500       3.749100     -0.1162000    
 H    1.875800       4.381800      0.1864000    
 H    2.639200       3.397300       1.402600    
 H   0.8612000       3.511200      -1.777800    
 H    2.416900       2.884900      -2.365600    
 H   0.9795000       1.848100      -2.286600    
 H   -1.663000       1.519000       1.168900    
 H    5.885800      -2.618900      0.2223000    
 H    4.495000      -3.607800     -0.2416000    
 H    4.743200      -3.189800       1.458200    
 H   -1.867500      -2.513000     -0.2802000    
 H   -3.512200      -1.656100       1.313700    
 H   -3.424500     -1.9700000E-02   1.907400    
 H   -4.293400     -0.8347000     -0.9213000    
 H   -4.152900      0.8293000     -0.3682000    
 H  -0.1725000      -3.279000      -1.281800    
 H   -6.024700      -1.277700      0.8363000    
 H   -5.867800      0.3843000       1.410200    
 H   -6.763500     -0.4446000      -1.404200    
 H   -6.574900       1.222700     -0.8567000    
 H   -8.321200      0.8549000      0.8949000    
 H   -8.941100      0.5165000     -0.7303000    
 H   -8.512700     -0.8226000      0.3482000    


%chk=000002978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002978

0 1
O 0.786165 1.979829 0.498381
O 0.529343 -2.469278 -1.510142
C 2.946338 1.045884 -0.278420
C 2.258766 -0.221339 -0.879445
C 1.993862 2.274349 -0.354261
C 3.443389 0.756876 1.160212
C 0.787036 -0.316901 -0.434496
C 4.509015 -0.357290 1.163326
C 3.067825 -1.481261 -0.566240
C 4.096035 -1.553220 0.321156
C 0.151430 0.748232 0.262553
C 2.576124 3.550517 0.272927
C 1.517657 2.560158 -1.797013
C -0.027623 -1.448720 -0.702720
C -1.165957 0.643789 0.768932
C 4.891231 -2.828651 0.525320
C -1.924790 -0.523815 0.549503
C -1.347138 -1.568549 -0.214425
C -3.356553 -0.632169 1.053474
C -4.402982 -0.146062 0.011849
C -5.854866 -0.242855 0.530307
C -6.902591 0.238123 -0.499660
C -8.351186 0.146785 0.027564
H 3.831412 1.273271 -0.908189
H 2.260936 -0.126887 -1.987530
H 2.583694 0.454051 1.787173
H 3.870452 1.669207 1.613356
H 4.704683 -0.687970 2.204220
H 5.478494 0.038644 0.788752
H 2.778239 -2.372026 -1.132918
H 3.540671 3.807514 -0.201309
H 1.878560 4.393365 0.127401
H 2.733377 3.428458 1.356216
H 0.850129 3.439135 -1.804309
H 2.384692 2.772808 -2.449488
H 0.963446 1.708619 -2.224869
H -1.581089 1.494793 1.318451
H 5.972779 -2.657696 0.350284
H 4.557989 -3.632596 -0.153709
H 4.794929 -3.195819 1.567085
H -1.931748 -2.474237 -0.429380
H -3.586076 -1.682890 1.321757
H -3.474500 -0.033437 1.977668
H -4.297133 -0.743286 -0.916542
H -4.174524 0.902558 -0.265634
H -0.129204 -3.197430 -1.631636
H -6.076525 -1.293436 0.814364
H -5.954235 0.356754 1.459588
H -6.805498 -0.364018 -1.426056
H -6.677205 1.285760 -0.785650
H -8.481939 0.766906 0.934570
H -9.080525 0.494215 -0.727257
H -8.611013 -0.895166 0.294508


