%chk=000130400.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130400

0 1
 S   0.8694000       4.344000     -0.9089000    
 O    4.293400     -0.9778000      0.8605000    
 O    5.183900      -3.586900       1.222400    
 O  -0.1899000      -1.663700      -1.553600    
 O   0.6554000       5.766300      -1.101700    
 O    1.027900       3.461800      -2.047900    
 N    1.884100      -3.214400     -0.4155000    
 N    2.156800       4.134900      0.2158000    
 N   -5.155000     -0.3414000      0.5014000    
 N   -6.701500      0.7028000       1.720700    
 C    3.782700      -3.302900       1.174400    
 C    3.300300      -3.518700     -0.2620000    
 C    3.557300      -1.879900       1.680700    
 C    1.464400      -3.373300      -1.801300    
 C  -3.5999999E-03  -3.012400      -1.962500    
 C    3.769000      0.2771000      0.7019000    
 C   -1.419500      -1.336700      -1.044200    
 C    2.702900       2.825900      0.3802000    
 C    4.004000      0.9789000     -0.4756000    
 C    3.005600      0.8385000       1.719900    
 C   -3.914300     -0.6720000     -1.2200000E-02
 C    3.469400       2.257100     -0.6370000    
 C    2.470900       2.116700       1.558600    
 C   -1.524400     -0.3277000     -9.3800001E-02
 C   -2.549600      -2.016800      -1.483800    
 C   -2.775900      5.7999999E-03  0.4241000    
 C   -3.801100      -1.683300     -0.9661000    
 C   -6.356300     -0.9156000      0.1717000    
 C  -0.4957000       3.743600      6.0800001E-02
 C   -5.420000      0.6264000       1.437600    
 C   -7.290700     -0.2562000      0.9353000    
 H    3.279300      -4.004900       1.849700    
 H    3.906100      -2.908300     -0.9447000    
 H    3.491600      -4.562900     -0.5412000    
 H    3.955600      -1.797200       2.699500    
 H    2.482900      -1.665500       1.706900    
 H    1.696800      -2.255100     -0.1283000    
 H    2.061300      -2.713100      -2.442600    
 H    1.618400      -4.406300      -2.133600    
 H  -0.5940000      -3.713000      -1.356600    
 H  -0.2921000      -3.113100      -3.015100    
 H    5.305400      -4.509700      0.9409000    
 H    4.601900      0.5399000      -1.269200    
 H    2.828300      0.3347000       2.665200    
 H    3.669700       2.801900      -1.555800    
 H    1.879800       2.552800       2.359800    
 H  -0.6381000      0.1982000      0.2498000    
 H   -2.507700      -2.789300      -2.245600    
 H   -2.799800      0.7996000       1.162900    
 H   -4.650300      -2.239900      -1.347900    
 H    2.056500       4.658200       1.096000    
 H   -6.483500      -1.715000     -0.5435000    
 H  -0.3427000       2.687400      0.2833000    
 H   -1.406800       3.866300     -0.5292000    
 H  -0.5675000       4.332300      0.9773000    
 H   -4.673700       1.259700       1.896300    
 H   -8.357700     -0.4231000      0.9591000    


%chk=000130400-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130400

0 1
S -0.678173 4.473579 0.018035
O 3.343846 -0.979345 0.056418
O 5.695655 -2.859539 0.614419
O -0.175027 -3.167140 -1.977659
O -0.838513 5.893242 -0.753278
O -1.009033 3.069348 -0.769726
N 2.213858 -3.755667 -0.561244
N 1.379603 4.268185 0.646150
N -3.981155 0.465524 0.109552
N -4.670614 2.460642 0.955092
C 4.256980 -3.157978 0.729875
C 3.688418 -3.708347 -0.601804
C 3.590420 -1.869745 1.212367
C 1.561651 -4.731970 -1.457869
C 0.047655 -4.510900 -1.400101
C 2.822765 0.289306 0.303098
C -1.202734 -2.353788 -1.471301
C 1.792060 2.925764 0.577995
C 2.587734 1.087222 -0.851125
C 2.526349 0.799809 1.598310
C -3.087570 -0.498256 -0.467310
C 2.083038 2.383950 -0.716790
C 1.992986 2.093372 1.723075
C -1.072479 -0.974537 -1.765912
C -2.303693 -2.812602 -0.710324
C -2.007525 -0.052073 -1.275084
C -3.235444 -1.878885 -0.202894
C -5.274084 0.261699 0.626307
C -1.849174 4.524471 1.558901
C -3.667823 1.810057 0.333400
C -5.680687 1.495335 1.135720
H 4.084667 -3.913562 1.527859
H 4.089279 -3.083900 -1.430873
H 4.072198 -4.738417 -0.745013
H 4.266698 -1.373855 1.933670
H 2.621608 -2.106153 1.691021
H 1.827745 -2.816604 -0.736526
H 1.891255 -4.650572 -2.521398
H 1.787675 -5.761482 -1.115790
H -0.291079 -4.535444 -0.346366
H -0.501697 -5.264023 -1.996202
H 6.164670 -3.642005 0.228428
H 2.825709 0.668101 -1.833218
H 2.696341 0.197867 2.494854
H 1.918455 3.015993 -1.593632
H 1.752932 2.483059 2.721118
H -0.221211 -0.639438 -2.365694
H -2.442372 -3.877080 -0.498297
H -1.869348 1.010877 -1.496577
H -4.058509 -2.236322 0.424194
H 1.310056 4.601297 1.633276
H -5.789254 -0.691721 0.557599
H -1.597859 3.647220 2.172137
H -2.881610 4.457969 1.180392
H -1.641439 5.479939 2.061001
H -2.717254 2.243668 0.023878
H -6.627346 1.748560 1.607169


