%chk=000049924.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049924

0 1
 O   -3.850500       1.036200       1.352000    
 O   -5.568300     -0.1868000     -0.3314000    
 C   -1.939200      0.7001000     -5.1700000E-02
 C   -3.438100      0.9016000     -1.1600000E-02
 C   -1.381900     -0.5950000      3.2400001E-02
 C   3.9500002E-02 -0.7684000      3.8400002E-02
 C   0.8962000      0.3705000     -2.8400000E-02
 C   -4.185200     -0.2723000     -0.6598000    
 C   0.2814000       1.641200     -0.1040000    
 C   -1.101300       1.807100     -0.1149000    
 C    2.331700      0.2081000     -1.8900000E-02
 C   -2.331100      -1.729400      0.1228000    
 C   -3.621800      -1.590000     -0.2150000    
 C   0.6517000      -2.037100      9.7499996E-02
 C    2.881700      -1.094900      4.9500000E-02
 C    2.035200      -2.197600      0.1044000    
 C   0.9636000       2.971000     -0.1882000    
 C    3.264100       1.277700     -7.4900001E-02
 C    4.273500      -1.294100      6.0400002E-02
 C    4.646800       1.069900     -6.3100003E-02
 C    5.152000     -0.2179000      4.6999999E-03
 H   -3.716600       1.829900     -0.5256000    
 H   -4.104300     -0.2174000      -1.751900    
 H   -1.557700       2.793500     -0.1644000    
 H   -1.981500      -2.700700      0.4486000    
 H   -4.278400      -2.454400     -0.1809000    
 H   6.3800000E-02  -2.950400      0.1339000    
 H    2.438300      -3.207700      0.1525000    
 H   0.2530000       3.806900     -0.2518000    
 H    1.541400       3.062200      -1.113500    
 H    1.525700       3.186200      0.7263000    
 H    3.045700       2.324300     -0.1235000    
 H   -4.783800       1.308900       1.347600    
 H    4.688200      -2.299400      0.1130000    
 H   -5.673800     -0.4224000      0.6062000    
 H    5.325200       1.917400     -0.1058000    
 H    6.224300     -0.3864000      1.4400000E-02


%chk=000049924-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049924

0 1
O -3.937634 1.085887 1.366514
O -5.704123 -0.247444 -0.219870
C -2.006404 0.695333 -0.148700
C -3.511508 0.864201 -0.055711
C -1.424083 -0.590871 -0.039986
C 0.013605 -0.709250 -0.048229
C 0.871430 0.468222 -0.086215
C -4.293210 -0.354227 -0.604831
C 0.236308 1.756102 -0.274822
C -1.172432 1.823754 -0.293366
C 2.331203 0.265773 0.036091
C -2.326947 -1.755181 0.100543
C -3.667879 -1.655043 -0.133770
C 0.611995 -2.027014 -0.068427
C 2.869066 -1.078068 -0.005406
C 1.977035 -2.205826 -0.088093
C 0.952992 3.075871 -0.528878
C 3.282098 1.317912 0.248215
C 4.277004 -1.306218 0.074219
C 4.660625 1.073761 0.345025
C 5.174540 -0.246345 0.235852
H -3.853361 1.781141 -0.561457
H -4.287560 -0.321435 -1.712659
H -1.646635 2.804293 -0.423395
H -1.913801 -2.717467 0.418004
H -4.343261 -2.510780 -0.022866
H -0.037201 -2.904810 -0.110866
H 2.406996 -3.212889 -0.138707
H 0.238336 3.807197 -0.943266
H 1.781523 2.972569 -1.250974
H 1.363777 3.523380 0.396632
H 2.947297 2.343411 0.379976
H -3.401386 0.485433 1.947585
H 4.641383 -2.339181 0.023547
H -5.696190 0.144438 0.698415
H 5.343551 1.913374 0.515624
H 6.252348 -0.429603 0.299553


