%chk=000103270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103270

0 1
 S    5.213200       2.747000     -4.3699998E-02
 S    9.410800     -0.6346000      8.2400002E-02
 O    4.459900       2.889600       1.396900    
 O    9.952700     -0.6076000      -1.459900    
 O    6.383400       3.606000     -5.5000000E-03
 O    4.220800       2.877200      -1.094600    
 O    9.981000      0.5247000      0.7530000    
 O    9.618800      -1.973800      0.6107000    
 O   -5.559400      -2.253500      5.3800002E-02
 O   -11.99530      0.1326000      8.0200002E-02
 O   -11.25420       2.011400     -0.7800000    
 N    1.287100     -0.7488000     -0.5296000    
 N   0.7760000     -0.7553000      0.6149000    
 N   -4.752200     -5.2600000E-02  0.2349000    
 N   -11.05400      0.8672000     -0.3056000    
 C    4.908700     -1.2500000E-02 -0.2188000    
 C    5.445700      -1.321400     -0.2513000    
 C    5.778100       1.083400     -9.3300000E-02
 C    7.685000     -0.3956000     -3.3700000E-02
 C    6.836100      -1.495900     -0.1574000    
 C    7.156900      0.8915000     -1.5000000E-03
 C    3.518400      0.1619000     -0.3128000    
 C    4.576700      -2.417500     -0.3763000    
 C    2.669700     -0.9385000     -0.4370000    
 C    3.197900      -2.225700     -0.4686000    
 C   -1.156300      0.7174000      0.5504000    
 C  -0.6132000     -0.5644000      0.5214000    
 C   -3.370700     -0.2234000      0.3307000    
 C   -2.537500      0.8884000      0.4547000    
 C   -1.441800      -1.676800      0.3980000    
 C   -2.823000      -1.506000      0.3026000    
 C  -0.2837000       1.922500      0.6839000    
 C   -7.132100     -0.5404000     -1.7000000E-03
 C   -5.736700      -1.041200      0.1062000    
 C   -8.164400      -1.349900      0.4240000    
 C   -7.349200      0.7177000     -0.5235000    
 C   -9.721000      0.3888000     -0.2018000    
 C   -9.474000     -0.8798000      0.3228000    
 C   -8.658600       1.187700     -0.6249000    
 H    7.247800      -2.502600     -0.1907000    
 H    7.835200       1.733900      9.0200000E-02
 H    3.035400       1.129300     -0.2468000    
 H    4.967200      -3.432800     -0.4032000    
 H    2.544600      -3.089000     -0.5657000    
 H   -2.966500       1.887800      0.4751000    
 H   -1.023000      -2.679700      0.3758000    
 H    5.028500       2.741100       2.188800    
 H   -3.400000      -2.415000      0.2094000    
 H   -5.050400      0.9157000      0.3107000    
 H    9.803600      0.2376000      -1.945600    
 H  -0.8699000       2.832200      0.8538000    
 H   0.3958000       1.816800       1.536300    
 H   0.3029000       2.070500     -0.2285000    
 H   -7.988700      -2.337300      0.8401000    
 H   -6.557700       1.355300     -0.9027000    
 H   -10.27660      -1.528800      0.6636000    
 H   -8.814600       2.177400      -1.046900    


%chk=000103270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103270

0 1
S 5.119813 2.648810 0.173000
S 9.684278 -0.514079 -0.132896
O 4.585050 2.468358 1.942555
O 9.828204 -0.204026 -1.956211
O 6.326024 3.719842 0.075244
O 3.793083 2.858851 -0.730482
O 10.337836 0.739667 0.651176
O 10.139212 -2.031417 0.190451
O -5.587906 -2.211090 0.026003
O -12.241162 -0.020693 0.290003
O -11.596072 2.008342 -0.531265
N 1.398121 -1.474672 0.022469
N 0.819868 -0.302757 0.147303
N -4.828030 0.012357 0.127451
N -11.343544 0.815408 -0.108239
C 4.991297 -0.249137 0.002291
C 5.669412 -1.538888 -0.091838
C 5.842404 0.906023 0.049765
C 7.817913 -0.407884 -0.093534
C 7.096197 -1.590993 -0.143085
C 7.228093 0.877119 0.005925
C 3.570776 -0.209104 0.048616
C 4.882742 -2.736730 -0.133752
C 2.830335 -1.405273 0.002091
C 3.494387 -2.673443 -0.089337
C -1.225559 0.971488 0.281625
C -0.596530 -0.312693 0.142840
C -3.421765 -0.156420 0.132963
C -2.631650 1.019325 0.271722
C -1.391526 -1.488767 0.004791
C -2.788817 -1.428046 0.000145
C -0.406413 2.236485 0.436427
C -7.239637 -0.439977 -0.004651
C -5.825400 -0.966806 0.043713
C -8.268844 -1.324801 0.411195
C -7.581379 0.854792 -0.480822
C -9.922268 0.376828 -0.075725
C -9.615752 -0.922359 0.384729
C -8.925569 1.271720 -0.518666
H 7.617150 -2.552829 -0.208670
H 7.829114 1.792087 0.057762
H 3.028950 0.738057 0.105931
H 5.394707 -3.702323 -0.202969
H 2.874529 -3.574349 -0.124254
H -3.127391 1.993714 0.374485
H -0.876486 -2.448469 -0.098797
H 4.193875 3.343914 2.232053
H -3.399493 -2.326153 -0.098000
H -5.149084 0.976963 0.240962
H 10.797892 -0.071827 -2.170068
H -1.057499 3.125908 0.484710
H 0.206072 2.199434 1.354712
H 0.303439 2.361244 -0.399360
H -7.986210 -2.328133 0.743388
H -6.815751 1.535289 -0.871215
H -10.423207 -1.584436 0.707368
H -9.214634 2.258750 -0.888329


