%chk=000039696.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039696

0 1
 S   -1.952400      -1.290200      0.6218000    
 O    2.496700       1.175800      0.1579000    
 O   0.9569000      -1.220200      0.4463000    
 O    1.044100      -1.524200      -1.846900    
 N   -1.037300      -1.369100     -0.8265000    
 C    3.623300       2.051200     -0.1378000    
 C    4.933600       1.321100      0.2390000    
 C    4.430200     -6.5300003E-02  0.3637000    
 C    3.046200     -6.7000002E-02  0.3319000    
 C    3.572900       2.385000      -1.634200    
 C    3.444700       3.327000      0.6865000    
 C    5.137000      -1.241200      0.5411000    
 C    2.313000      -1.229500      0.4747000    
 C    4.417300      -2.430700      0.6790000    
 C    3.013400      -2.424700      0.6467000    
 C   -5.069900     -0.9623000      0.4869000    
 C   -4.240300      0.2672000      0.2972000    
 C   -2.846500      0.2323000      0.3384000    
 C   -5.912900      -1.296700     -0.7564000    
 C   -5.975800     -0.8711000       1.727600    
 C   0.3630000      -1.383100     -0.8311000    
 C   -4.901400       1.474800      7.3299997E-02
 C   -2.113900       1.405300      0.1560000    
 C   -4.168800       2.647700     -0.1091000    
 C   -2.775000       2.613000     -6.7800000E-02
 C   -1.798100      -1.524900      -2.058200    
 H    5.332000       1.656900       1.202500    
 H    5.708300       1.421100     -0.5272000    
 H    4.377500       3.070300      -1.919700    
 H    3.657700       1.478200      -2.243900    
 H    2.613400       2.844700      -1.897400    
 H    4.261100       4.035500      0.5131000    
 H    2.496700       3.819700      0.4423000    
 H    3.404300       3.096300       1.757100    
 H    6.221000      -1.245100      0.5780000    
 H    4.947200      -3.369100      0.8179000    
 H    2.474800      -3.362100      0.7601000    
 H   -4.452900      -1.848400      0.6540000    
 H   -6.669100     -0.5315000     -0.9612000    
 H   -6.436400      -2.249500     -0.6202000    
 H   -5.277500      -1.387700      -1.644500    
 H   -5.385500     -0.6573000       2.625600    
 H   -6.501000      -1.818900       1.889700    
 H   -6.734100     -8.6999997E-02   1.629000    
 H   -5.985800       1.531300      3.6100000E-02
 H   -1.026900       1.406000      0.1888000    
 H   -4.683300       3.588200     -0.2830000    
 H   -2.204700       3.526500     -0.2087000    
 H   -2.276800     -0.5759000      -2.316300    
 H   -2.556100      -2.305200      -1.935900    
 H   -1.142500      -1.810000      -2.886000    


%chk=000039696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039696

0 1
S -2.085444 -1.793949 -0.178230
O 1.968804 0.903072 -0.179519
O 0.791412 -1.777062 0.091626
O 1.361015 -1.541390 -2.191306
N -0.876621 -1.662260 -1.506306
C 3.018923 2.009248 -0.394091
C 4.207908 1.596555 0.541012
C 3.961737 0.116311 0.798680
C 2.654641 -0.189641 0.360969
C 3.402296 1.944390 -1.882242
C 2.340182 3.324961 -0.005356
C 4.754495 -0.877563 1.398525
C 2.127218 -1.487749 0.485423
C 4.219812 -2.184252 1.547557
C 2.915119 -2.487339 1.090876
C -5.018342 -0.752017 0.293345
C -3.935444 0.330543 0.225384
C -2.562770 -0.002208 0.025356
C -6.437516 -0.246743 -0.054290
C -5.018573 -1.432934 1.693548
C 0.492854 -1.638791 -1.292660
C -4.244904 1.705071 0.404487
C -1.549672 0.983467 0.007266
C -3.246658 2.702638 0.376787
C -1.895518 2.341538 0.174745
C -1.402177 -1.548570 -2.880694
H 4.184315 2.171761 1.487094
H 5.178553 1.791963 0.051966
H 4.134296 2.736827 -2.125962
H 3.845925 0.963852 -2.127680
H 2.508643 2.081376 -2.514387
H 3.048083 4.166293 -0.118264
H 1.468899 3.518695 -0.655606
H 1.997762 3.292879 1.043469
H 5.767643 -0.651481 1.748397
H 4.822061 -2.971464 2.012245
H 2.498009 -3.494084 1.191296
H -4.744898 -1.531822 -0.448090
H -6.829420 0.439688 0.719622
H -7.134578 -1.102467 -0.113321
H -6.457673 0.279945 -1.025552
H -4.031465 -1.864196 1.942311
H -5.764525 -2.248518 1.726575
H -5.272065 -0.698634 2.480773
H -5.288773 1.998244 0.555882
H -0.498661 0.708832 -0.127256
H -3.522337 3.754299 0.514086
H -1.108970 3.104212 0.160605
H -2.016200 -0.634971 -2.977800
H -2.018419 -2.430041 -3.128591
H -0.547580 -1.489315 -3.572507


