%chk=000057183.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057183

0 1
 O    1.424400      -2.076300      -1.319200    
 O   -1.254200      -2.306600     -0.5875000    
 O    5.099500       2.643400      0.4620000    
 O   -5.334800       2.395600     -3.7999999E-02
 O    5.165400      0.6312000       2.363800    
 O   -4.029700       1.416900      -2.276100    
 O    3.748600       2.234100      -1.920900    
 O   -5.132000       1.041200       2.369300    
 O    2.879300      -3.327200     -4.7400001E-02
 O   -2.537400      -3.240100       1.080300    
 C    3.186300     -0.9721000     -0.2575000    
 C   -3.088500      -1.088700      0.2129000    
 C    4.470200       1.457000      0.2261000    
 C   -4.596300       1.252400      4.4900000E-02
 C    4.506600      0.4456000       1.186100    
 C   -3.941400      0.7621000      -1.084800    
 C    3.792000       1.253900     -0.9756000    
 C   -4.497500      0.5723000       1.258600    
 C    3.864600     -0.7689000      0.9442000    
 C   -3.187500     -0.4085000      -1.000800    
 C    3.150000      3.9299998E-02  -1.217400    
 C   -3.743600     -0.5982000       1.342600    
 C   0.6763000      -3.254200      -1.639200    
 C  -0.4081000      -3.450100     -0.5973000    
 C    2.514600      -2.237500     -0.5085000    
 C   -2.283600      -2.333100      0.3029000    
 C    4.335800       3.665500       1.098100    
 C   -4.657800       3.623400      0.2208000    
 C    5.154300     -0.4528000       3.290600    
 C   -3.330300      0.8487000      -3.381600    
 C    3.034400       1.945600      -3.121200    
 C   -4.979700      0.2864000       3.569800    
 H    3.856800      -1.586800       1.657000    
 H   -2.676300     -0.8334000      -1.857200    
 H    2.626700     -0.1655000      -2.144500    
 H   -3.628300      -1.164300       2.260700    
 H    1.322600      -4.134700      -1.723900    
 H   0.2257000      -3.076700      -2.621500    
 H  -0.9965000      -4.341800     -0.8401000    
 H   3.9099999E-02  -3.567500      0.3964000    
 H    3.471600       3.939300      0.4846000    
 H    4.004200       3.338900       2.088800    
 H    4.973200       4.546000       1.216100    
 H   -4.259700       3.636600       1.240400    
 H   -3.848400       3.776600     -0.5000000    
 H   -5.377500       4.439900      0.1164000    
 H    5.725400     -0.1315000       4.167900    
 H    5.663100      -1.335000       2.887200    
 H    4.140000     -0.6770000       3.638000    
 H   -3.507400       1.501100      -4.243100    
 H   -3.725300     -0.1381000      -3.645900    
 H   -2.248100      0.8357000      -3.212300    
 H    3.099800       2.835700      -3.755700    
 H    1.970000       1.773400      -2.927500    
 H    3.497200       1.124700      -3.679800    
 H   -5.550800      0.8024000       4.348700    
 H   -3.936700      0.2647000       3.903700    
 H   -5.409300     -0.7166000       3.473900    


%chk=000057183-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057183

0 1
O 1.481442 -2.302844 -0.706080
O -1.354389 -2.291231 -0.004714
O 5.458942 2.664084 -0.244252
O -5.705079 2.276812 -1.029634
O 6.597846 0.501732 1.175539
O -3.448071 1.728436 -2.330666
O 3.068844 2.474196 -1.391103
O -6.487544 0.818307 1.255243
O 3.004714 -3.289203 0.769017
O -2.710381 -2.749524 1.835575
C 3.364012 -0.999830 -0.003004
C -3.292545 -0.921122 0.323890
C 4.792497 1.452416 -0.089017
C -4.920971 1.249750 -0.510944
C 5.330087 0.319576 0.598091
C -3.731393 0.911337 -1.230260
C 3.527357 1.321170 -0.745145
C -5.282670 0.463121 0.626532
C 4.613107 -0.893040 0.651938
C -2.923284 -0.169926 -0.817552
C 2.820346 0.100820 -0.707372
C -4.467307 -0.607651 1.045849
C 0.636247 -3.517888 -0.617136
C -0.437103 -3.364893 0.449923
C 2.646137 -2.295223 0.085785
C -2.470662 -2.057094 0.812870
C 6.003892 3.336955 0.955621
C -6.134818 3.363647 -0.121894
C 7.210110 -0.658179 1.832614
C -2.264548 1.390392 -3.122812
C 1.778075 2.382923 -2.077121
C -6.927370 -0.011764 2.381965
H 4.995057 -1.771273 1.178744
H -2.007191 -0.438408 -1.346542
H 1.850356 -0.016063 -1.192691
H -4.714658 -1.223746 1.914372
H 1.272845 -4.388540 -0.378060
H 0.187159 -3.621485 -1.617259
H -1.007153 -4.305513 0.568403
H -0.009019 -3.092357 1.430349
H 5.193643 3.528618 1.684247
H 6.799692 2.734153 1.420647
H 6.401121 4.290993 0.578180
H -6.780016 2.975520 0.682143
H -5.249947 3.870888 0.307083
H -6.688256 4.060392 -0.768897
H 8.190099 -0.302773 2.183115
H 7.346512 -1.493076 1.119438
H 6.604371 -0.999432 2.693770
H -2.248167 2.129648 -3.936948
H -2.338075 0.369495 -3.544828
H -1.336392 1.473994 -2.521765
H 1.617062 3.381109 -2.509725
H 0.960066 2.145822 -1.367765
H 1.802907 1.623859 -2.883510
H -7.889499 0.419415 2.694945
H -6.205767 0.032116 3.219933
H -7.071268 -1.063212 2.069175


