%chk=000052770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052770

0 1
 S    3.553700       1.842500      0.4716000    
 O   -2.974600       1.180400      -1.108700    
 N   -4.381200     -0.6811000      0.3476000    
 N   -6.202100      -1.501700     -0.5764000    
 C   -2.959000     -0.4839000      0.6332000    
 C  -0.8839000      0.8874000     -7.4699998E-02
 C   -2.295300      0.5836000     -0.2486000    
 C  -0.1383000      0.2099000      0.8901000    
 C  -0.2756000       1.856200     -0.8729000    
 C    1.823800       1.470200      0.2587000    
 C    1.215500      0.5015000       1.056800    
 C    1.078300       2.147500     -0.7062000    
 C   -5.402400     -1.5000000E-02  0.9360000    
 C   -4.889200      -1.560200     -0.5492000    
 C    4.297200      0.2538000      0.1311000    
 C   -6.528500     -0.5401000      0.3468000    
 C    4.108900     -0.3478000      -1.110800    
 C    5.062600     -0.3767000       1.108800    
 C    4.689700      -1.587900      -1.376500    
 C    5.643500      -1.616700      0.8430000    
 C    5.457000      -2.222200     -0.3996000    
 H   -2.889300     -0.1925000       1.686600    
 H   -2.471400      -1.452000      0.4765000    
 H  -0.5699000     -0.5499000       1.533700    
 H  -0.8345000       2.397600      -1.631600    
 H    1.775100     -3.4600001E-02   1.819500    
 H    1.535600       2.905100      -1.337900    
 H   -5.261100      0.7460000       1.690700    
 H   -4.275500      -2.213800      -1.154100    
 H   -7.557500     -0.2743000      0.5402000    
 H    3.520400      0.1309000      -1.889400    
 H    5.218000      7.9999998E-02   2.082900    
 H    4.545900      -2.059000      -2.344500    
 H    6.240900      -2.111000       1.603600    
 H    5.909500      -3.187600     -0.6066000    


%chk=000052770-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052770

0 1
S 3.589292 1.756679 -0.596932
O -3.267056 1.793383 -0.183291
N -4.479778 -0.676259 0.346017
N -6.600304 -1.189817 -0.282167
C -3.025013 -0.594922 0.308755
C -0.999461 0.970851 -0.146805
C -2.480344 0.818866 -0.027919
C -0.085614 -0.101542 0.048208
C -0.477524 2.255583 -0.473066
C 1.803994 1.379384 -0.402654
C 1.303122 0.096283 -0.077110
C 0.903946 2.462191 -0.601238
C -5.329338 -0.115257 1.309439
C -5.297406 -1.306692 -0.596005
C 4.394124 0.136927 -0.219656
C -6.625734 -0.444296 0.910319
C 4.709473 -0.747371 -1.276805
C 4.753622 -0.171374 1.112678
C 5.385960 -1.957099 -0.993630
C 5.428328 -1.383525 1.388623
C 5.744475 -2.275902 0.337169
H -2.602405 -0.912798 1.282289
H -2.655639 -1.311844 -0.447810
H -0.442976 -1.105629 0.301283
H -1.184768 3.078180 -0.622118
H 1.990788 -0.740598 0.077104
H 1.288625 3.456399 -0.853656
H -4.951678 0.470351 2.142894
H -4.897456 -1.824950 -1.465151
H -7.565639 -0.190833 1.394668
H 4.431691 -0.489549 -2.303718
H 4.511830 0.529198 1.918305
H 5.633832 -2.643150 -1.810627
H 5.709732 -1.624582 2.419320
H 6.271596 -3.211686 0.552987


