%chk=000177355.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177355

0 1
 S   -2.496500      0.1173000      -1.738900    
 O    4.642800      9.9600002E-02  0.3290000    
 O   -2.412700     -0.7170000      -2.921900    
 O   -3.384200       1.263700      -1.708200    
 O   0.9557000       2.715200     -0.5128000    
 O   9.2799999E-02  -1.485700      -1.190100    
 O   -1.840300       1.434500       1.515500    
 O   -4.043000       1.863400       1.002600    
 N    3.014500       1.731800      7.4999998E-03
 N    1.363200      0.3655000     -0.6278000    
 N  -0.9245000      0.6094000      -1.280100    
 N    2.473000     -0.4166000     -0.3733000    
 C   -2.941600     -0.9093000     -0.3709000    
 C    3.383400      0.4322000     -1.4200000E-02
 C   -3.190900     -0.3598000      0.8776000    
 C    1.690400       1.745500     -0.3893000    
 C   0.1838000     -0.2683000      -1.042000    
 C    4.906000      -1.294200      0.2657000    
 C   -3.033800      -2.277000     -0.5844000    
 C    6.344300      -1.542900      0.6932000    
 C    3.799300       2.898500      0.3605000    
 C   -3.540500      -1.196800       1.937300    
 C   -3.383600      -3.113900      0.4753000    
 C   -3.636800      -2.573900       1.736000    
 C   -3.100100       1.072900       1.126300    
 C    6.703700      -3.016700      0.6359000    
 C   -1.624400       2.822500       1.791600    
 H  -0.8031000       1.604700      -1.056200    
 H    4.763400      -1.653400     -0.7611000    
 H    4.228800      -1.834600      0.9387000    
 H   -2.840000      -2.727200      -1.552800    
 H    7.023600     -0.9694000      5.0999999E-02
 H    6.497300      -1.161200       1.709800    
 H    4.173400       2.770700       1.380200    
 H    4.657600       2.956600     -0.3148000    
 H    3.198800       3.808000      0.2882000    
 H   -3.740300     -0.7884000       2.924800    
 H   -3.457800      -4.186100      0.3192000    
 H   -3.908800      -3.225500       2.561200    
 H    6.595600      -3.408000     -0.3807000    
 H    7.741900      -3.166300      0.9483000    
 H    6.061400      -3.603500       1.300200    
 H   -2.284900       3.155300       2.597700    
 H   -1.789300       3.414900      0.8868000    
 H  -0.5868000       2.948400       2.111700    


%chk=000177355-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177355

0 1
S -2.421244 0.220064 -1.580820
O 4.912062 -0.003126 0.306192
O -2.418786 -0.712872 -2.899297
O -3.157843 1.659843 -1.631553
O 1.021004 2.603068 -0.314611
O 0.082328 -1.577087 -0.986835
O -2.274422 1.663475 1.104090
O -4.314943 1.672893 2.235672
N 3.168908 1.598452 0.085093
N 1.526718 0.242184 -0.521734
N -0.685286 0.641163 -1.142686
N 2.669053 -0.596873 -0.340557
C -3.069414 -0.872810 -0.135314
C 3.614381 0.276273 0.017860
C -3.563495 -0.336870 1.075172
C 1.802937 1.604967 -0.261230
C 0.257023 -0.342517 -0.903594
C 5.298661 -1.453122 0.194945
C -3.141594 -2.233670 -0.466226
C 6.777506 -1.543656 0.560519
C 3.940945 2.791566 0.438453
C -4.198255 -1.242569 1.965751
C -3.746287 -3.117282 0.456567
C -4.285723 -2.617111 1.663123
C -3.465999 1.093344 1.520684
C 7.280885 -3.002407 0.467902
C -2.110908 3.119788 1.348680
H -0.491768 1.645289 -0.963799
H 5.094766 -1.780963 -0.841183
H 4.652689 -2.031046 0.881441
H -2.746348 -2.579973 -1.425782
H 7.360465 -0.896109 -0.120449
H 6.923857 -1.154624 1.585248
H 4.334623 2.710044 1.465099
H 4.782544 2.929192 -0.260292
H 3.260884 3.655763 0.370970
H -4.612875 -0.838067 2.894723
H -3.803325 -4.184814 0.222310
H -4.773429 -3.297180 2.368980
H 7.169001 -3.404145 -0.556045
H 8.349927 -3.060180 0.736592
H 6.724595 -3.666236 1.155255
H -2.286051 3.346807 2.412978
H -2.831020 3.669904 0.721055
H -1.075947 3.336131 1.048953


