%chk=000043592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043592

0 1
 S    1.733500     -0.2496000       1.549600    
 S   -2.951100      0.2877000      0.6294000    
 S   -5.756900       1.843700      -1.893800    
 O    1.614100      -3.313900      -1.944500    
 O   -1.182600      -4.069500     -0.6480000    
 O    5.694200      -1.393500      0.4365000    
 O   -2.051500      -2.112300      -1.450800    
 O    6.864100      0.2507000      -1.441400    
 O   -5.696900       3.351000      -2.511700    
 O   -4.635400       1.085400      -2.408500    
 O   -7.118800       1.358400      -1.986100    
 N   0.9304000      -2.306000      7.4800000E-02
 N    3.667100      -1.129300     -0.6640000    
 N   -5.557600       1.209000      0.7400000    
 N   -5.209100     -0.4950000       2.035200    
 N   -6.736000      0.9695000       1.332200    
 N   -6.516700     -7.4000001E-02   2.122800    
 C    1.940500      -1.978200       1.064400    
 C    2.979400      -2.260800     -4.2900000E-02
 C    1.770000      -2.783100     -0.8697000    
 C  -0.3999000      -2.105300      0.2589000    
 C  -0.8646000      -1.316900       1.257200    
 C   4.3900002E-02 -0.5146000       2.186100    
 C   -2.325800      -1.110000       1.576400    
 C    4.986100     -0.7884000     -0.3656000    
 C   -1.309500      -2.729500     -0.7134000    
 C    5.482400      0.4131000      -1.157600    
 C    5.289200       1.702500     -0.3946000    
 C   -4.634000      0.3123000       1.173900    
 C    4.104300       2.425100     -0.5348000    
 C    6.295500       2.170300      0.4507000    
 C   -5.422400       2.291900     -0.2010000    
 C    3.925600       3.615400      0.1699000    
 C    6.116700       3.360700       1.155400    
 C    4.931700       4.083200       1.015000    
 H    1.972200      -2.692600       1.895500    
 H    3.672800      -3.072100      0.2115000    
 H   0.1067000      -1.020100       3.156100    
 H  -0.3733000      0.4828000       2.358700    
 H    3.169500     -0.5513000      -1.337300    
 H   -2.461000     -0.9373000       2.650300    
 H   -2.904600      -2.007500       1.330500    
 H    4.966900      0.4743000      -2.123400    
 H   -1.773900      -4.527800      -1.282500    
 H    6.953000     -0.5179000      -2.030800    
 H    3.312400       2.070800      -1.189300    
 H    7.222500       1.620900      0.5891000    
 H   -6.136800       3.072000      8.2999997E-02
 H   -4.413000       2.706300     -0.1411000    
 H    3.002600       4.177500      6.1299998E-02
 H    6.898500       3.723700       1.816200    
 H    4.792200       5.009500       1.564700    
 H   -4.800500       3.760800      -2.544500    


%chk=000043592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043592

0 1
S 1.385087 -0.282923 1.471873
S -3.350540 -0.350125 -0.633557
S -6.937720 1.513947 -0.558593
O 2.064930 -2.443002 -2.422064
O -0.300502 -4.203970 -1.786320
O 5.884751 -2.041182 0.538858
O -2.237927 -2.921630 -1.772244
O 7.415471 0.150363 0.443654
O -7.736569 3.165530 -0.235152
O -7.613334 0.832254 -1.856972
O -6.801391 0.687628 0.825120
N 1.011323 -2.464503 -0.207295
N 3.964724 -0.957968 -0.222885
N -4.249946 2.223616 0.017783
N -2.862962 1.382107 1.551229
N -4.107051 3.222056 1.053491
N -3.277111 2.688554 1.939242
C 1.870215 -2.025179 0.916696
C 3.109136 -2.106995 -0.053896
C 2.057780 -2.385323 -1.186717
C -0.392063 -2.375016 -0.258638
C -1.088406 -1.605376 0.658057
C -0.421284 -0.789819 1.753391
C -2.592193 -1.562985 0.686117
C 5.312438 -1.012398 0.061836
C -1.082733 -3.150499 -1.331167
C 6.158286 0.253681 -0.274251
C 5.442782 1.556931 0.059486
C -3.481206 1.118822 0.373065
C 4.687025 2.228257 -0.934126
C 5.495572 2.085838 1.371956
C -5.159150 2.411744 -1.037890
C 3.970515 3.404990 -0.613776
C 4.785034 3.263397 1.689028
C 4.014504 3.922193 0.700772
H 1.861282 -2.702217 1.783458
H 3.751709 -2.976340 0.168534
H -0.461951 -1.341153 2.712095
H -0.979388 0.154387 1.897137
H 3.558325 -0.062380 -0.511748
H -2.976889 -1.197567 1.650212
H -3.072081 -2.509610 0.403175
H 6.340707 0.210341 -1.372274
H -0.751416 -4.654365 -2.550443
H 7.521718 -0.812052 0.696064
H 4.681076 1.851910 -1.965999
H 6.115632 1.581398 2.119605
H -5.469313 3.457707 -1.144833
H -4.897806 1.895245 -1.971096
H 3.393074 3.920562 -1.389026
H 4.832769 3.671204 2.704885
H 3.463793 4.835645 0.950957
H -8.642625 3.016267 0.161184


