%chk=000027143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027143

0 1
 S    2.255000     -0.3310000       1.656500    
 O   -3.137400      -1.558000      0.8267000    
 N    4.602200     -0.5238000     -0.3165000    
 C   -2.467600      -1.793900     -0.4232000    
 C   -1.018900      -2.162800     -0.1693000    
 C  -0.2025000      -1.006500      0.4777000    
 C   -3.256400      -2.884800      -1.126600    
 C   -4.662200      -2.577700     -0.6750000    
 C   -4.443300      -2.150300      0.7607000    
 C  -0.2180000      0.2453000     -0.3445000    
 C    1.227400      -1.541800      0.7636000    
 C  -0.7691000       1.444700      0.1355000    
 C   0.3408000      0.1791000      -1.621200    
 C  -0.7526000       2.593200     -0.6912000    
 C    3.747700      -1.334800       1.822600    
 C   0.3571000       1.308700      -2.434000    
 C   -1.335800       1.529400       1.417800    
 C  -0.1857000       2.508700      -1.973400    
 C   -1.303400       3.792700     -0.2114000    
 C    4.279700      -1.724400      0.4490000    
 C   -1.878700       2.729200       1.878100    
 C   -1.862700       3.858800       1.065000    
 C    5.603400      0.2798000      0.3858000    
 C    5.081100     -0.8797000      -1.652600    
 H   -2.549600     -0.8725000      -1.011000    
 H  -0.9826000      -3.027300      0.5074000    
 H  -0.5531000      -2.479800      -1.110600    
 H  -0.6467000     -0.8783000       1.464400    
 H   -2.963300      -3.878200     -0.7657000    
 H   -3.134700      -2.865000      -2.213100    
 H   -5.065300      -1.740700      -1.257500    
 H   -5.349600      -3.422300     -0.7690000    
 H   -4.451700      -3.012100       1.436400    
 H   -5.191900      -1.430600       1.103400    
 H    1.690600      -1.804100     -0.1886000    
 H    1.164600      -2.450500       1.372900    
 H   0.7693000     -0.7400000      -2.010400    
 H    3.488300      -2.243100       2.378600    
 H    4.481400     -0.8142000       2.444300    
 H   0.7921000       1.256900      -3.427900    
 H   -1.393300      0.7049000       2.116800    
 H  -0.1621000       3.378900      -2.625900    
 H    3.594500      -2.381200     -9.3300000E-02
 H    5.184300      -2.331200      0.5984000    
 H   -1.301600       4.688000     -0.8297000    
 H   -2.314700       2.782700       2.871500    
 H   -2.285600       4.792600       1.424100    
 H    5.196100      0.7820000       1.268000    
 H    6.482600     -0.3062000      0.6779000    
 H    5.952900       1.095600     -0.2594000    
 H    5.271300      2.0900000E-02  -2.247100    
 H    6.002400      -1.472700      -1.618000    
 H    4.320200      -1.454100      -2.192900    


%chk=000027143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027143

0 1
S 2.420894 -0.226955 1.828722
O -2.903643 -1.696537 1.041643
N 4.482545 -1.167315 -0.534874
C -2.367663 -1.586358 -0.357676
C -0.853149 -1.828705 -0.322526
C -0.048775 -0.785184 0.523787
C -3.169710 -2.616331 -1.186960
C -4.527416 -2.685978 -0.443852
C -4.088143 -2.589252 1.031845
C 0.004581 0.583136 -0.174046
C 1.342101 -1.398865 0.807898
C -0.947250 1.633517 0.132898
C 0.985413 0.824912 -1.148190
C -0.851772 2.903365 -0.571071
C 3.997435 -1.267920 1.977110
C 1.065690 2.066465 -1.846235
C -1.993809 1.488770 1.110691
C 0.163767 3.091568 -1.563356
C -1.776322 3.957096 -0.263544
C 4.467797 -1.985740 0.697207
C -2.876706 2.535185 1.388365
C -2.769814 3.784463 0.700228
C 5.248424 0.090316 -0.408623
C 4.913843 -1.969459 -1.699066
H -2.587476 -0.557495 -0.704528
H -0.684512 -2.840486 0.099179
H -0.463442 -1.829406 -1.360916
H -0.567030 -0.687245 1.494478
H -2.667298 -3.602645 -1.158377
H -3.272399 -2.309501 -2.241592
H -5.156899 -1.819341 -0.716026
H -5.091129 -3.610063 -0.659523
H -3.799782 -3.584495 1.429814
H -4.851528 -2.143952 1.693311
H 1.897262 -1.612668 -0.121870
H 1.212140 -2.334251 1.381313
H 1.742458 0.060998 -1.359385
H 3.851634 -2.025575 2.767851
H 4.751267 -0.545292 2.335316
H 1.851800 2.211951 -2.595848
H -2.125494 0.538192 1.636458
H 0.223800 4.053319 -2.087272
H 3.812511 -2.857532 0.505662
H 5.487239 -2.403764 0.926656
H -1.684089 4.907701 -0.803371
H -3.662801 2.395675 2.139013
H -3.468406 4.596781 0.930275
H 4.789764 0.729770 0.363421
H 6.327099 -0.074452 -0.155770
H 5.202267 0.639325 -1.365990
H 4.825408 -1.365984 -2.619949
H 5.972115 -2.329126 -1.623268
H 4.262099 -2.856135 -1.805336


