%chk=000112014.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112014

0 1
 S    5.894500     -0.6063000      -1.224900    
 S   -7.761200       2.936800     -0.4741000    
 S    6.866200       3.454200       1.359500    
 O    6.898100       3.145200     -0.2451000    
 O    6.772000      -1.322800     -0.3104000    
 O    6.233900     -0.5275000      -2.639200    
 O   -2.655500      -1.409500      -1.997700    
 O   -1.074000      -4.229400       2.065400    
 O   -7.048000       4.403100     -0.3610000    
 O   -1.440900      -2.546600       3.588900    
 O   -8.256800       2.807600      -1.836600    
 O   -8.658400       2.789300      0.6615000    
 O    7.048300       5.073300       1.441200    
 O    5.533000       3.139700       1.838400    
 O    8.026700       2.842800       1.980100    
 N   -3.430100      -1.041500      0.2158000    
 N   -3.110000      -1.484400       1.484200    
 N  -0.3476000      -2.022200     -0.2115000    
 N   0.4341000      -2.882000     -0.6806000    
 C   -1.697700      -2.534500     -6.1700001E-02
 C    5.738100       1.064500     -0.6358000    
 C    4.289400      -1.274400      -1.064700    
 C   -2.632400      -1.612300     -0.7953000    
 C   -2.137900      -2.321600       1.338900    
 C   -4.443700     -0.1107000      5.4400001E-02
 C    7.057600       1.808600     -0.7032000    
 C    3.913900      -1.911100      0.1184000    
 C    3.383000      -1.172500      -2.120000    
 C    1.725400      -2.343600     -0.8093000    
 C   -4.764200      0.3576000      -1.219900    
 C   -5.143600      0.3582000       1.166200    
 C    2.631900      -2.445500      0.2460000    
 C    2.101100      -1.707000      -1.992200    
 C   -6.484200       1.763700     -0.2706000    
 C   -5.784400       1.294800      -1.382500    
 C   -6.163900       1.295400       1.003700    
 C   -1.512600      -3.029700       2.473600    
 H   -1.855500      -3.569200     -0.3827000    
 H    4.979800       1.573200      -1.239600    
 H    5.367900       1.008100      0.3915000    
 H    7.839800       1.299400     -0.1297000    
 H    7.409200       1.860600      -1.739100    
 H    4.600900      -1.995800      0.9557000    
 H    3.652500     -0.6754000      -3.047700    
 H   -4.269000      4.5000002E-02  -2.128300    
 H   -4.923500      1.9500000E-02   2.174800    
 H    2.347600      -2.938600       1.172000    
 H    1.401200      -1.621800      -2.819500    
 H   -6.012100       1.651300      -2.383100    
 H   -6.690000       1.652000       1.884700    
 H  -0.6507000      -4.736600       2.790500    
 H   -7.654300       5.174300     -0.4593000    
 H    7.054600       5.451500       2.351700    


%chk=000112014-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112014

0 1
S 5.739311 0.500461 -1.832472
S -9.255116 1.326115 -1.496445
S 9.368793 1.527651 1.919142
O 8.060067 2.437979 0.961011
O 6.421328 -0.603079 -2.824697
O 5.477336 2.055359 -2.293711
O -2.849014 -1.696993 -1.611016
O -0.635327 -2.103163 3.255376
O -8.665521 3.068602 -1.759408
O -2.324104 -0.911694 4.350210
O -9.646344 0.690081 -2.931453
O -10.313199 1.319748 -0.272799
O 10.845130 1.973742 0.928700
O 9.405083 2.240167 3.350269
O 9.223837 -0.051922 1.699798
N -3.918551 -0.869854 0.373595
N -3.622536 -0.798041 1.749027
N -0.525941 -1.075644 0.335572
N 0.394467 -1.876576 -0.101094
C -1.777300 -1.828754 0.667968
C 6.848313 0.608987 -0.210775
C 4.076843 -0.203175 -1.246890
C -2.871319 -1.487792 -0.382063
C -2.424123 -1.329428 1.940766
C -5.170958 -0.352796 -0.082109
C 7.747410 1.835690 -0.357212
C 3.886400 -1.589623 -1.346793
C 3.092842 0.703103 -0.807718
C 1.625337 -1.223394 -0.476012
C -5.499839 -0.390528 -1.463334
C -6.072539 0.189011 0.872211
C 2.633545 -2.102145 -0.946922
C 1.847296 0.181275 -0.412571
C -7.605058 0.661672 -0.926938
C -6.737174 0.129869 -1.891691
C -7.308274 0.707526 0.444837
C -1.845666 -1.392673 3.303091
H -1.585861 -2.919673 0.671609
H 6.126798 0.731796 0.612336
H 7.363462 -0.360790 -0.172187
H 8.672857 1.623051 -0.921744
H 7.196167 2.653472 -0.868022
H 4.676652 -2.233035 -1.746697
H 3.292808 1.779949 -0.809532
H -4.802631 -0.815487 -2.187254
H -5.796809 0.202983 1.928360
H 2.412570 -3.172518 -0.997573
H 1.042201 0.835231 -0.065439
H -7.021660 0.106551 -2.947960
H -8.025720 1.121181 1.159824
H -0.237592 -2.144358 4.166544
H -9.446489 3.608110 -2.079279
H 11.106311 2.910973 1.171361


