%chk=000005354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005354

0 1
 S    6.910400      0.2026000      0.4895000    
 O   0.8103000      -2.335800       1.157000    
 N   -1.200200      -1.086300     -0.4269000    
 C   0.1503000     -0.5457000     -0.3617000    
 C   -4.656900      0.4518000      1.1500000E-02
 C   -3.600900     -0.6257000     -0.2492000    
 C   -6.071800     -0.1196000     -0.1049000    
 C   -2.189400     -4.6999998E-02 -0.1672000    
 C    1.152100      -1.685600     -7.0100002E-02
 C   -7.169500      0.9133000      0.1702000    
 C   -8.584200      0.3458000      2.7600000E-02
 C   0.4385000      0.1656000      -1.685100    
 C    2.584400      -1.215900      6.8599999E-02
 C   -9.678100       1.363200      0.3623000    
 C    2.910700     -0.2440000       1.014500    
 C    3.577900      -1.754500     -0.7491000    
 C   -11.08700      0.8144000      0.1974000    
 C    4.230400      0.1890000       1.142900    
 C    4.897600      -1.321400     -0.6209000    
 C    5.223700     -0.3496000      0.3252000    
 C    6.755300       1.974700      0.1294000    
 C    7.945600       2.724600      0.7153000    
 C    6.651000       2.186200      -1.376200    
 H   0.2071000      0.1806000      0.4590000    
 H   -4.535500       1.271800     -0.7065000    
 H   -4.513100      0.8741000       1.013300    
 H   -3.716700      -1.434400      0.4834000    
 H   -3.763600      -1.063600      -1.242300    
 H   -6.212800     -0.5315000      -1.111900    
 H   -6.184200     -0.9549000      0.5974000    
 H   -2.113900      0.7680000     -0.8940000    
 H   -2.038000      0.3809000      0.8318000    
 H    1.080200      -2.443400     -0.8611000    
 H   -7.040200       1.309800       1.184800    
 H   -7.050500       1.759100     -0.5181000    
 H   -1.310100      -1.823600      0.2695000    
 H   -8.692300     -0.5250000      0.6859000    
 H   -8.725700     -1.3600000E-02 -0.9991000    
 H    1.452600      0.5787000      -1.697500    
 H  -0.2351000       1.008400      -1.866400    
 H   0.3540000     -0.5228000      -2.534100    
 H   -9.564600       2.243100     -0.2821000    
 H   -9.550300       1.707200       1.395500    
 H    2.155400      0.1779000       1.671600    
 H    3.338400      -2.511600      -1.490800    
 H    1.498900      -2.994400       1.352900    
 H   -11.82610       1.581200      0.4494000    
 H   -11.26340      0.4964000     -0.8350000    
 H   -11.24970     -4.5800000E-02  0.8544000    
 H    4.462300      0.9364000       1.897500    
 H    5.658200      -1.752000      -1.267400    
 H    5.853000       2.372900      0.6048000    
 H    8.893400       2.392300      0.2768000    
 H    7.853100       3.799100      0.5210000    
 H    8.004000       2.594200       1.801700    
 H    7.535800       1.811500      -1.903500    
 H    6.563300       3.254500      -1.604200    
 H    5.766200       1.695100      -1.795400    


%chk=000005354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005354

0 1
S 7.154243 -0.061438 0.327055
O 0.648597 -2.072190 1.245888
N -1.198268 -0.827979 -0.318208
C 0.189719 -0.311280 -0.325650
C -4.819393 0.531573 -0.176153
C -3.649797 -0.476967 -0.147593
C -6.199673 -0.135744 0.017749
C -2.271571 0.188717 -0.331640
C 1.128128 -1.513449 -0.045540
C -7.376366 0.865029 -0.028051
C -8.756193 0.197521 0.168723
C 0.530065 0.360194 -1.671717
C 2.601488 -1.145971 0.040197
C -9.934149 1.197272 0.116890
C 3.095153 -0.411824 1.151346
C 3.507090 -1.535351 -0.975881
C -11.308837 0.521791 0.312540
C 4.461568 -0.075515 1.240138
C 4.874113 -1.181803 -0.903366
C 5.357104 -0.449394 0.206453
C 7.103717 1.866870 0.258621
C 8.510028 2.355716 0.644685
C 6.652985 2.349020 -1.127934
H 0.361203 0.433831 0.495226
H -4.810450 1.076406 -1.143557
H -4.669044 1.297304 0.613652
H -3.664067 -1.027301 0.817644
H -3.783197 -1.234958 -0.944469
H -6.345039 -0.908593 -0.765802
H -6.213392 -0.673155 0.989226
H -2.258129 0.720527 -1.303229
H -2.131788 0.968550 0.462593
H 0.967623 -2.259743 -0.853186
H -7.229591 1.640092 0.753466
H -7.364172 1.399948 -1.001051
H -1.309102 -1.473111 0.478656
H -8.771567 -0.334438 1.143276
H -8.902479 -0.579795 -0.610525
H 1.578025 0.706281 -1.691557
H -0.117220 1.237551 -1.843577
H 0.367254 -0.349667 -2.503263
H -9.917500 1.728914 -0.856680
H -9.787487 1.973190 0.896131
H 2.405884 -0.133847 1.956101
H 3.142484 -2.110575 -1.835970
H 1.229021 -2.833156 1.498967
H -12.132954 1.257797 0.270385
H -11.492365 -0.236671 -0.471949
H -11.362927 0.009547 1.291891
H 4.841179 0.459624 2.117782
H 5.567184 -1.471085 -1.699849
H 6.369638 2.164178 1.029136
H 9.266433 1.990237 -0.074199
H 8.538180 3.461487 0.631691
H 8.796229 2.012165 1.654103
H 7.374353 2.032879 -1.902874
H 6.587388 3.454925 -1.143810
H 5.660941 1.942564 -1.391530


