%chk=000044763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044763

0 1
 S  -0.8296000       2.057600       2.455900    
 S   0.6898000     -0.8157000       2.844300    
 S   -5.310700     -0.9232000      0.9125000    
 S    5.675100      0.3024000      0.5543000    
 S    1.023900       1.206600       2.686200    
 O   -4.277000      -2.088600       1.317600    
 O    5.009500       1.767200      0.5992000    
 O   -6.258600      -1.499600     -0.1012000    
 O    6.668800      0.2977000     -0.5730000    
 C   -2.074900       1.393700     -5.9000002E-03
 C    1.894100      -1.222300      0.3074000    
 C   -2.139400       1.462400      -1.418000    
 C    1.842100      -1.695700      -1.025400    
 C   -1.037300       2.058800      0.6675000    
 C   0.7671000      -1.365600       1.146900    
 C   -3.050100      0.6621000      0.6913000    
 C    3.070900     -0.6150000      0.7750000    
 C   -3.177100      0.7974000      -2.091300    
 C    2.968400      -1.547900      -1.851100    
 C   -4.074100      7.6000001E-03  6.0999999E-03
 C    4.180500     -0.4765000     -5.9300002E-02
 C   -1.164200       2.194100      -2.115200    
 C   0.6654000      -2.303000      -1.493000    
 C   -4.137400      7.5099997E-02  -1.382500    
 C    4.129400     -0.9421000      -1.369800    
 C  -7.7000000E-02   2.781100     -4.1299999E-02
 C  -0.3931000      -1.975900      0.6518000    
 C  -0.1403000       2.848700      -1.430000    
 C  -0.4442000      -2.441500     -0.6587000    
 H   -3.035000      0.5858000       1.775600    
 H    3.188800     -0.2872000       1.802100    
 H   -3.245500      0.8363000      -3.176500    
 H    2.950400      -1.904300      -2.879100    
 H   -1.194100       2.260600      -3.200800    
 H   0.6024000      -2.673200      -2.514200    
 H   -4.922500     -0.4250000      -1.942700    
 H    4.977400     -0.8475000      -2.042200    
 H   0.7271000       3.315800      0.4589000    
 H   -1.273800      -2.099400       1.278400    
 H   0.6060000       3.413200      -1.981400    
 H   -1.349200      -2.911300      -1.033200    
 H   -4.727700      -2.965500       1.308600    
 H    5.672700       2.453100      0.3507000    


%chk=000044763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044763

0 1
S -1.123897 2.413121 2.504906
S 0.747087 -0.843787 2.867544
S -5.051725 -1.347697 0.824953
S 5.964387 -0.240383 0.534434
S 0.951526 1.450801 2.766946
O -3.519158 -2.342450 1.404305
O 5.321291 1.551160 0.625125
O -5.791447 -2.138842 -0.401936
O 6.941670 -0.408845 -0.770148
C -2.248957 1.639406 -0.004047
C 1.938420 -1.339572 0.299126
C -2.370189 1.756000 -1.448051
C 1.856346 -1.838757 -1.063042
C -1.299523 2.488761 0.677553
C 0.743269 -1.371484 1.111813
C -3.069963 0.684525 0.678506
C 3.194117 -0.840085 0.771474
C -3.297069 0.913215 -2.148695
C 3.023593 -1.809757 -1.896977
C -3.946708 -0.103457 -0.059006
C 4.289747 -0.844899 -0.085063
C -1.554395 2.702265 -2.148679
C 0.610816 -2.356965 -1.550111
C -4.085075 -0.015139 -1.470199
C 4.238408 -1.317669 -1.422343
C -0.522445 3.405506 -0.041708
C -0.458321 -1.882769 0.603184
C -0.647542 3.510083 -1.459433
C -0.519851 -2.384585 -0.733034
H -2.973216 0.578908 1.764039
H 3.270698 -0.460669 1.794914
H -3.376744 1.008979 -3.237555
H 2.946427 -2.184873 -2.923921
H -1.650034 2.780921 -3.237674
H 0.561810 -2.732056 -2.579140
H -4.791478 -0.679655 -1.980340
H 5.146394 -1.277498 -2.034852
H 0.193328 4.038582 0.491082
H -1.367397 -1.906163 1.213449
H -0.024135 4.229342 -2.000125
H -1.472494 -2.779069 -1.100702
H -3.857920 -3.043446 2.031155
H 6.057348 2.090296 1.036771


