%chk=000049016.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049016

0 1
 O    2.165300     -0.8452000      0.2736000    
 O    4.976700     -0.7676000      0.5184000    
 O    6.363400       1.275900     -0.7422000    
 O   -3.838800      0.7950000     -6.9300003E-02
 O   -4.188700      -1.470700     -0.1330000    
 C    4.271700      0.2087000     -0.2517000    
 C    2.878000      0.3856000      0.3401000    
 C    5.065800       1.507600     -0.2041000    
 C   0.8009000     -0.7628000      0.1893000    
 C   -1.970300     -0.5973000      2.0099999E-02
 C   9.0700001E-02  -1.755000     -0.4781000    
 C   0.1381000      0.3114000      0.7731000    
 C   -1.299000      -1.671800     -0.5630000    
 C   -1.251800      0.3944000      0.6882000    
 C   -3.419400     -0.5106000     -6.8000004E-02
 C   -5.252900       1.007100     -0.1521000    
 C   -5.529600       2.495400     -0.1413000    
 H    4.219200     -0.1840000      -1.272600    
 H    2.371000       1.174500     -0.2306000    
 H    2.951600      0.6810000       1.393800    
 H    5.192800       1.869000      0.8218000    
 H    4.583200       2.290300     -0.7966000    
 H   0.6099000      -2.593300     -0.9340000    
 H   0.6562000       1.087400       1.328100    
 H   -1.843700      -2.451500      -1.089300    
 H   -1.749000       1.233200       1.168400    
 H    5.033200     -0.4447000       1.434100    
 H    6.778300      0.5750000     -0.2108000    
 H   -5.633700      0.5659000      -1.079800    
 H   -5.743000      0.5328000      0.7053000    
 H   -6.603200       2.694100     -0.2030000    
 H   -5.136900       2.953600      0.7723000    
 H   -5.030000       2.986200     -0.9830000    


%chk=000049016-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049016

0 1
O 2.248476 -0.532362 -0.272405
O 4.792229 -0.720143 0.981711
O 6.882784 0.824256 0.096300
O -4.031223 0.795232 0.073379
O -4.152861 -1.499391 -0.328681
C 4.511455 0.216474 -0.123450
C 3.058896 0.686124 -0.068695
C 5.523651 1.355616 0.076203
C 0.851933 -0.420461 -0.226518
C -1.974784 -0.412252 -0.176051
C 0.139059 -1.629987 -0.431205
C 0.157105 0.794913 0.001218
C -1.262845 -1.622039 -0.405015
C -1.252069 0.789756 0.024933
C -3.460457 -0.462888 -0.158254
C -5.523697 0.831219 0.106154
C -5.925542 2.282887 0.345308
H 4.700667 -0.285420 -1.094854
H 2.844246 1.423545 -0.868570
H 2.829583 1.125942 0.922297
H 5.289278 1.891716 1.021724
H 5.485769 2.067100 -0.765721
H 0.701614 -2.551171 -0.609405
H 0.693964 1.734562 0.158098
H -1.833348 -2.543291 -0.560531
H -1.803110 1.717945 0.199543
H 4.168539 -1.486069 0.911614
H 6.872597 0.051874 0.721864
H -5.902427 0.438425 -0.854915
H -5.869935 0.156909 0.910462
H -7.027366 2.364395 0.378171
H -5.522207 2.652173 1.303848
H -5.553975 2.934011 -0.464459


