%chk=000036405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036405

0 1
 S   -1.876000      0.5218000       1.641800    
 O   -2.144600     -0.2173000       2.863400    
 O   -2.651900       1.703000       1.311300    
 N    3.356400      -1.856900      0.8017000    
 C  -0.1710000      0.9821000       1.728700    
 C   0.1122000     -0.3009000     -0.8414000    
 C   -2.143000     -0.6304000      0.3170000    
 C   0.1938000       1.779300      0.5133000    
 C   -1.215700     -0.9397000     -0.6911000    
 C   0.3348000       1.152200     -0.7341000    
 C    1.205700      -1.067100      -1.018200    
 C    2.595700     -0.5220000      -1.108000    
 C   -3.399700      -1.259800      0.3504000    
 C   0.3951000       3.163900      0.6081000    
 C   -1.605400      -1.880500      -1.668700    
 C   0.6723000       1.908900      -1.865700    
 C    3.616200      -1.538700     -0.5978000    
 C   -3.750800      -2.195300     -0.6185000    
 C   0.7319000       3.911400     -0.5208000    
 C   -2.853500      -2.505300      -1.630400    
 C   0.8705000       3.284500      -1.756300    
 C    3.409700     -0.6468000       1.623500    
 C    4.317400      -2.846500       1.291800    
 H   0.4296000      7.8100003E-02   1.852100    
 H  -4.8999999E-02   1.577400       2.640400    
 H    1.101200      -2.147300      -1.102900    
 H    2.749200      0.4492000     -0.6317000    
 H    2.814500     -0.3653000      -2.173200    
 H   -4.121500      -1.025000       1.129400    
 H   0.2888000       3.670800       1.564000    
 H  -0.9392000      -2.134300      -2.492000    
 H   0.7762000       1.436600      -2.839900    
 H    3.553600      -2.450900      -1.206000    
 H    4.627600      -1.133800     -0.7356000    
 H   -4.724100      -2.675200     -0.5854000    
 H   0.8847000       4.983300     -0.4356000    
 H   -3.123000      -3.226600      -2.396100    
 H    1.130400       3.867100      -2.635300    
 H    2.600200      5.1800001E-02   1.414800    
 H    4.364100     -0.1176000       1.516700    
 H    3.293300     -0.9073000       2.682600    
 H    4.089600      -3.125000       2.326800    
 H    5.348700      -2.477400       1.252100    
 H    4.256900      -3.766800      0.7001000    


%chk=000036405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036405

0 1
S -1.002769 -0.681878 1.875491
O -0.338596 -2.109845 2.335061
O -2.112561 0.017572 2.858378
N 3.241177 -1.066290 1.097587
C 0.520392 0.565663 1.603792
C 0.262310 -0.509970 -1.106841
C -1.882437 -0.959893 0.201036
C 0.373720 1.496888 0.451553
C -1.158845 -0.991743 -1.014035
C 0.395758 0.975567 -0.879934
C 1.287705 -1.362669 -1.375083
C 2.761515 -1.034159 -1.396372
C -3.249442 -1.263931 0.306668
C 0.312878 2.899521 0.651864
C -1.880563 -1.394703 -2.169104
C 0.401350 1.872464 -1.972858
C 3.499219 -1.724144 -0.209326
C -3.942031 -1.655067 -0.861553
C 0.315866 3.785902 -0.447307
C -3.249675 -1.736616 -2.091915
C 0.375480 3.271317 -1.762328
C 4.126635 0.096758 1.324943
C 3.251021 -2.016398 2.236655
H 1.351383 -0.163181 1.462084
H 0.538160 1.063075 2.586646
H 1.036555 -2.426218 -1.510344
H 2.926785 0.057803 -1.364977
H 3.212735 -1.409575 -2.337872
H -3.746156 -1.191930 1.280199
H 0.276830 3.292673 1.674454
H -1.356928 -1.416318 -3.131196
H 0.411415 1.470718 -2.992230
H 3.153578 -2.772517 -0.140726
H 4.594029 -1.759684 -0.431049
H -5.007750 -1.900259 -0.807429
H 0.272060 4.867412 -0.279706
H -3.781160 -2.049396 -2.997285
H 0.383309 3.952970 -2.619945
H 4.040650 0.810990 0.487024
H 5.202548 -0.189367 1.426911
H 3.823690 0.622562 2.248294
H 3.034076 -1.469918 3.171679
H 4.228992 -2.540970 2.361755
H 2.448991 -2.761519 2.102640


