%chk=000058903.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058903

0 1
 O    4.212700       1.061900       1.467000    
 O    3.539200      -1.049700      0.1176000    
 O   -6.287100     -0.2665000      0.7867000    
 O    4.078600      -1.976800      -1.928700    
 C   0.8561000       1.628400      0.1281000    
 C    1.917100      0.6287000      0.6265000    
 C  -0.3093000      0.9420000     -0.5908000    
 C   -1.005800     -4.5200001E-02  0.4082000    
 C    1.252700     -0.2969000       1.652600    
 C    2.937200       1.620400       1.218200    
 C   2.4300000E-02  -1.011900       1.059900    
 C    1.678000       2.677000     -0.6172000    
 C   -2.253300     -0.7593000     -0.2355000    
 C    2.988500       2.763700      0.1860000    
 C   -1.312400       1.967700      -1.139600    
 C    2.570700     -0.2266000     -0.4889000    
 C   -2.513300       1.288400      -1.789800    
 C   -3.160700      0.3257000     -0.8257000    
 C   -1.855300      -1.749000      -1.353800    
 C   -2.989800      -1.583000      0.8117000    
 C   -4.451300      0.4806000     -0.4899000    
 C   -4.273800      -1.431800       1.150700    
 C   -5.101300     -0.3981000      0.5033000    
 C    4.233700      -1.889700     -0.7181000    
 C    5.224600      -2.699900      6.1500002E-02
 H   0.4267000       2.146200       1.002400    
 H   8.0799997E-02  0.3801000      -1.446600    
 H   -1.391500      0.5731000       1.236200    
 H   0.9212000      0.2896000       2.519900    
 H    1.956700      -1.038600       2.046700    
 H    2.568500       2.026200       2.169200    
 H   0.3574000      -1.759300      0.3334000    
 H  -0.4499000      -1.568300       1.875700    
 H    1.170000       3.646100     -0.6529000    
 H    1.880900       2.371500      -1.649600    
 H    3.857700       2.678400     -0.4758000    
 H    3.071400       3.729500      0.6970000    
 H  -0.8263000       2.610000      -1.883300    
 H   -1.656100       2.624600     -0.3297000    
 H    3.058800      0.4022000      -1.241800    
 H    1.840200     -0.8529000      -1.009400    
 H   -2.201300      0.7538000      -2.694400    
 H   -3.219300       2.060300      -2.119800    
 H   -2.742800      -2.153100      -1.858000    
 H   -1.233200      -1.286300      -2.125700    
 H   -1.296500      -2.606500     -0.9614000    
 H   -2.440900      -2.382800       1.303300    
 H    4.089400      0.3071000       2.067400    
 H   -5.063000       1.267200     -0.9191000    
 H   -4.739600      -2.068100       1.894200    
 H    4.701100      -3.314600      0.7978000    
 H    5.939600      -2.035500      0.5530000    
 H    5.771000      -3.358900     -0.6192000    


%chk=000058903-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058903

0 1
O 4.481951 1.447044 0.982150
O 3.641663 -0.987101 -0.018460
O -6.183158 -0.692755 0.865782
O 2.446796 -2.772350 -0.943455
C 0.896547 1.764287 0.107634
C 2.021721 0.798567 0.612545
C -0.255739 1.045438 -0.624332
C -0.883480 -0.006031 0.353960
C 1.373398 -0.161842 1.635442
C 3.074154 1.819241 1.190889
C 0.177606 -0.935374 1.011960
C 1.670668 2.916818 -0.573101
C -2.081737 -0.805496 -0.341038
C 2.829901 3.168052 0.437412
C -1.333218 2.039815 -1.114877
C 2.655915 0.010522 -0.560951
C -2.531357 1.303972 -1.773854
C -3.082032 0.238535 -0.847136
C -1.573355 -1.677203 -1.544054
C -2.708740 -1.769446 0.649152
C -4.390633 0.253805 -0.442710
C -4.016711 -1.744087 1.031631
C -4.957262 -0.723584 0.509796
C 3.430151 -2.347668 -0.297280
C 4.552660 -3.180654 0.279450
H 0.450045 2.201032 1.032190
H 0.147515 0.523683 -1.516603
H -1.355103 0.580693 1.174740
H 1.014471 0.440696 2.494510
H 2.107508 -0.884710 2.040976
H 2.894111 1.935091 2.281619
H 0.560505 -1.664688 0.274556
H -0.305167 -1.521856 1.815002
H 1.049824 3.816844 -0.725257
H 2.054444 2.611708 -1.565986
H 3.770348 3.481320 -0.045453
H 2.541634 3.959368 1.152664
H -0.894318 2.750214 -1.840759
H -1.699539 2.636170 -0.253944
H 3.256097 0.664143 -1.211681
H 1.915642 -0.550662 -1.151630
H -2.183627 0.845337 -2.722137
H -3.326116 2.024626 -2.037815
H -2.427640 -2.185542 -2.024208
H -1.062800 -1.070386 -2.310768
H -0.864392 -2.451276 -1.202607
H -2.050360 -2.561630 1.030050
H 4.578430 0.461064 1.049555
H -5.084652 1.019548 -0.811631
H -4.430617 -2.479964 1.731027
H 4.676720 -2.970931 1.355683
H 5.504616 -2.923377 -0.217421
H 4.337714 -4.247917 0.128273


