%chk=000076025.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076025

0 1
 S   -2.555500     -0.2554000     -0.6757000    
 S    3.978000      0.7767000       1.449500    
 S   -5.652300     -0.7260000      -2.277600    
 S    6.384900      7.8599997E-02  -1.016900    
 P   -4.682400     -0.2889000     -0.6289000    
 P    4.499800      3.5999999E-03 -0.4706000    
 O   -5.168000       1.136500      8.6000003E-03
 O   -5.114800      -1.253400      0.6189000    
 O    3.892500      -1.512000     -0.5648000    
 O    3.514100      0.7148000      -1.564900    
 C  -0.5558000      0.5024000       1.053800    
 C   -2.051300      0.4118000      0.9229000    
 C   0.1529000     -0.5741000       1.570700    
 C   9.7400002E-02   1.661200      0.6557000    
 C    2.205800      0.6695000       1.294900    
 C    1.539900     -0.4901000       1.691900    
 C    1.484500       1.745100      0.7768000    
 C   -5.003600       2.341400     -0.7207000    
 C   -4.892500      -2.652300      0.5541000    
 C    4.436000      -2.552500      0.2310000    
 C    3.490400      0.2631000      -2.908900    
 H   -2.462800     -0.2205000       1.717800    
 H   -2.499900       1.402500       1.055800    
 H  -0.3556000      -1.482400       1.882200    
 H  -0.4543000       2.504500      0.2497000    
 H    2.084500      -1.338400       2.099000    
 H    1.986200       2.656700      0.4614000    
 H   -5.828000       2.457700      -1.428500    
 H   -5.021900       3.178000     -1.7700000E-02
 H   -4.051100       2.351200      -1.255700    
 H   -5.683400      -3.124300     -3.4000002E-02
 H   -3.918300      -2.874900      0.1127000    
 H   -4.920200      -3.055700       1.569400    
 H    3.684900      -3.339500      0.3339000    
 H    5.317700      -2.968300     -0.2625000    
 H    4.705200      -2.189100       1.225600    
 H    3.473800     -0.8282000      -2.959500    
 H    2.585900      0.6488000      -3.386200    
 H    4.360100      0.6493000      -3.446100    


%chk=000076025-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076025

0 1
S -2.540355 -1.019238 -0.398479
S 3.992989 0.765322 1.620710
S -5.750403 -1.263199 -2.162664
S 6.830156 0.011807 -0.647146
P -4.763289 -0.482321 -0.527663
P 4.777182 0.126716 -0.451926
O -4.780305 1.239563 -0.279752
O -5.373416 -0.818230 1.065167
O 3.886009 -1.303111 -0.913830
O 3.898106 1.255912 -1.430360
C -0.626849 0.154461 1.281637
C -2.120872 -0.027022 1.214359
C 0.174910 -0.750935 2.024402
C 0.005361 1.230855 0.602581
C 2.183883 0.499116 1.420229
C 1.574698 -0.586601 2.092195
C 1.400538 1.411393 0.672801
C -4.687680 2.092683 -1.485596
C -5.806903 -2.206470 1.337689
C 4.441418 -2.626563 -0.562101
C 4.073925 1.158821 -2.902353
H -2.518224 -0.612861 2.055290
H -2.669588 0.923833 1.129350
H -0.298173 -1.588295 2.550383
H -0.602613 1.931817 0.019157
H 2.190822 -1.286813 2.664961
H 1.889025 2.238282 0.150516
H -5.503755 1.859653 -2.192458
H -4.792837 3.117800 -1.101240
H -3.708907 1.967892 -1.985273
H -6.578746 -2.525398 0.614261
H -4.948318 -2.902942 1.305025
H -6.226634 -2.165767 2.353388
H 3.835467 -3.344181 -1.135137
H 5.505769 -2.698253 -0.852677
H 4.332260 -2.818419 0.520765
H 3.667556 0.202896 -3.274189
H 3.499073 2.006062 -3.304169
H 5.141520 1.259134 -3.170750


