%chk=000072203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072203

0 1
 S   -4.286600      -2.193200      0.2881000    
 S   -1.704600       4.153800       1.326900    
 S    4.900100      0.1429000       1.510800    
 O   -4.469900      -2.811300       1.786300    
 O   -3.301200       4.042400       1.653800    
 O    5.647600       1.562000       1.200800    
 O   -4.937500      -3.091700     -0.6483000    
 O   -4.644100     -0.7872000      0.3364000    
 O   -1.428200       5.503900      0.8659000    
 O  -0.9949000       3.594600       2.466200    
 O    5.906400     -0.9052000       1.534600    
 O    4.023300      0.3614000       2.650100    
 N   -2.662500       4.593700      -1.534000    
 N    5.847000     -0.5843000      -1.294700    
 N   -2.589700      -4.686000      0.7200000    
 C   0.2353000     -0.1925000     -0.7037000    
 C  -0.4474000      -1.297900     -0.3607000    
 C  -0.5244000       1.067600     -0.9146000    
 C    1.710800     -0.2947000     -0.8513000    
 C   -1.890200      -1.246600     -0.2095000    
 C   0.2538000      -2.551500     -0.1445000    
 C   -2.577500      -2.343600      0.1335000    
 C  -0.3906000      -3.678500      0.2041000    
 C  -0.7304000       1.909000      0.1585000    
 C    2.508200     -6.1600000E-02  0.2495000    
 C   -1.888900      -3.650000      0.3781000    
 C   -1.444900       3.090500     -3.9900001E-02
 C    3.892900     -0.1560000      0.1097000    
 C   -1.000300       1.353400      -2.177200    
 C    2.234600     -0.6181000      -2.085500    
 C   -1.936900       3.403400      -1.307200    
 C    4.448300     -0.4818000      -1.127700    
 C   -1.714700       2.534800      -2.375800    
 C    3.619000     -0.7126000      -2.225400    
 C   0.3378000      -4.969100      0.4268000    
 H   -2.425600     -0.3240000     -0.3879000    
 H    1.329600      -2.622200     -0.2572000    
 H  -0.3406000       1.643600       1.136800    
 H    2.053900      0.1931000       1.202600    
 H  -0.8338000      0.6841000      -3.016600    
 H    1.598600     -0.8001000      -2.947300    
 H   -2.092500       2.765900      -3.368500    
 H    4.038200     -0.9673000      -3.195500    
 H    1.416800      -4.866900      0.2683000    
 H  -2.2500001E-02  -5.737400     -0.2651000    
 H   0.1904000      -5.320600       1.453300    
 H   -2.856800       5.237800     -0.7805000    
 H   -3.011700       4.797200      -2.461500    
 H    6.478400     -0.4079000     -0.5261000    
 H    6.226200     -0.8193000      -2.202800    
 H   -2.005300      -5.514400      0.8566000    
 H   -4.055600      -2.291700       2.515000    
 H   -3.619200       3.144300       1.908400    
 H    5.050800       2.339400       1.091600    


%chk=000072203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072203

0 1
S -4.471390 -1.603265 -0.037220
S -3.467360 2.441835 1.333574
S 5.442650 1.440992 0.196389
O -4.751545 -1.292191 1.719493
O -4.657703 2.292179 0.023032
O 5.350501 2.675120 -1.194146
O -5.598449 -2.605250 -0.556535
O -4.384203 -0.106142 -0.752426
O -3.728565 3.903148 1.982162
O -3.516169 1.079248 2.243628
O 6.968732 0.865624 0.242272
O 4.800232 2.108698 1.516914
N -2.012679 4.814166 -0.195414
N 6.152092 -1.039845 -1.650491
N -3.247760 -4.285688 0.925810
C 0.534215 -0.337530 -0.576494
C -0.345164 -1.448958 -0.425122
C -0.017475 1.022677 -0.422723
C 1.973469 -0.512287 -0.842211
C -1.777481 -1.247704 -0.554086
C 0.069089 -2.776420 0.009330
C -2.655596 -2.181723 -0.079451
C -0.822702 -3.748885 0.427991
C -1.135335 1.233396 0.435346
C 2.936763 0.371181 -0.289555
C -2.296089 -3.486041 0.464835
C -1.812710 2.449214 0.443881
C 4.297637 0.187421 -0.564359
C 0.442724 2.163746 -1.159017
C 2.462116 -1.554507 -1.695764
C -1.371364 3.604498 -0.271091
C 4.815750 -0.855072 -1.397597
C -0.192804 3.406962 -1.071778
C 3.820917 -1.723656 -1.962867
C -0.349670 -5.088724 0.948010
H -2.171539 -0.344949 -1.027721
H 1.141777 -2.982481 0.096161
H -1.480227 0.442114 1.106772
H 2.628080 1.177188 0.385614
H 1.297633 2.055778 -1.835134
H 1.739041 -2.220523 -2.178501
H 0.191363 4.255883 -1.648574
H 4.152235 -2.527324 -2.630092
H 0.747304 -5.176531 0.885338
H -0.790831 -5.923832 0.369824
H -0.640551 -5.237187 2.006140
H -2.785911 4.944253 0.469028
H -1.690752 5.604722 -0.748701
H 6.851529 -0.466326 -1.160338
H 6.454209 -1.800435 -2.254778
H -2.886406 -5.197410 1.272012
H -4.351719 -0.368071 1.944288
H -4.667113 1.276171 -0.297770
H 5.926202 3.456346 -0.944186


