%chk=000090601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090601

0 1
 S   0.5350000      -1.259100      -1.234200    
 O   -2.080600      0.3717000       2.845900    
 O   1.5900001E-02 -0.2514000      -2.143000    
 O   0.5824000      -2.653900      -1.638000    
 O   0.9439000      -2.772600       1.471200    
 O    6.014700      0.3489000      0.2362000    
 N  -0.2443000      -1.128000      0.2722000    
 N  -0.5893000      -1.347400       2.460700    
 C   -1.231800     -2.0000001E-03  0.5464000    
 C   -2.629000     -0.2104000     -5.9599999E-02
 C  -0.5908000       1.365600      0.2625000    
 C   -1.372700     -0.2800000       2.084900    
 C   0.1258000      -1.866200       1.430700    
 C    2.178200     -0.7766000     -0.7931000    
 C   -3.680700      0.6349000      0.2989000    
 C  -0.8935000       2.048700     -0.9166000    
 C   -2.849800      -1.245800     -0.9698000    
 C   0.2956000       1.927100       1.182900    
 C   -4.948700      0.4455000     -0.2508000    
 C  -0.3114000       3.289800      -1.174600    
 C   -4.117700      -1.435100      -1.519400    
 C   0.8777000       3.168200      0.9250000    
 C    3.078700      -1.744200     -0.3831000    
 C    2.532400      0.5590000     -0.8661000    
 C   -5.167100     -0.5894000      -1.159900    
 C   0.5741000       3.849500     -0.2537000    
 C    4.374900      -1.364000     -3.5100002E-02
 C    3.828600      0.9394000     -0.5182000    
 C    4.749700     -2.2100000E-02 -0.1026000    
 H  -0.5282000      -1.686000       3.414300    
 H   -3.532500       1.456900      0.9935000    
 H   -1.588400       1.654500      -1.652000    
 H   -2.083100      -1.950700      -1.261900    
 H   0.5677000       1.416800       2.101800    
 H   -5.765300       1.105800      2.6699999E-02
 H  -0.5492000       3.821500      -2.091200    
 H   -4.290400      -2.245000      -2.222200    
 H    1.571300       3.601900       1.639400    
 H    2.814800      -2.795800     -0.3364000    
 H    1.859600       1.314100      -1.246000    
 H   -6.154500     -0.7375000      -1.587200    
 H    1.028400       4.815200     -0.4551000    
 H    5.089000      -2.117800      0.2848000    
 H    4.112200       1.986100     -0.5885000    
 H    6.099000       1.312300      0.1317000    


%chk=000090601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090601

0 1
S 0.635258 -1.185503 -1.268909
O -2.397172 0.443719 2.930890
O 0.073232 -0.017948 -2.236050
O 0.409169 -2.742835 -1.640928
O 0.939060 -2.577972 1.572178
O 6.470652 -0.166220 -0.159201
N -0.229059 -0.853407 0.399337
N -0.775219 -1.231089 2.545525
C -1.320845 0.133229 0.655361
C -2.634729 -0.202269 -0.080854
C -0.820467 1.582335 0.466939
C -1.595170 -0.162532 2.192003
C 0.080727 -1.669980 1.488210
C 2.435591 -0.854983 -0.889766
C -3.734343 0.684610 0.049513
C -1.076796 2.288559 -0.733471
C -2.795558 -1.406275 -0.806866
C -0.024523 2.193201 1.468626
C -4.970300 0.378826 -0.556692
C -0.555212 3.586629 -0.921274
C -4.033963 -1.706270 -1.417780
C 0.497281 3.491098 1.281227
C 3.243867 -1.922866 -0.458464
C 2.901737 0.454644 -1.092762
C -5.124237 -0.816588 -1.297552
C 0.232175 4.194304 0.083563
C 4.604828 -1.657726 -0.223501
C 4.266175 0.709387 -0.850396
C 5.110042 -0.347000 -0.416957
H -0.762974 -1.672622 3.466708
H -3.625266 1.601995 0.636886
H -1.670045 1.820422 -1.523343
H -1.966723 -2.115012 -0.909718
H 0.183706 1.666178 2.407154
H -5.812508 1.070894 -0.447767
H -0.761104 4.120223 -1.855600
H -4.140818 -2.635304 -1.988064
H 1.099717 3.954881 2.070033
H 2.819448 -2.918568 -0.305845
H 2.226661 1.242798 -1.441491
H -6.083433 -1.052387 -1.771759
H 0.628861 5.205465 -0.061824
H 5.284863 -2.444195 0.113149
H 4.665451 1.719606 -1.000437
H 6.752562 0.768949 -0.318631


