%chk=000005510.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005510

0 1
 S   -2.476300      -3.422800       1.292500    
 O  -0.7762000      -1.417800       1.338900    
 N   -2.429100      -1.253700     -0.4240000    
 C    2.446900      0.1672000      0.5702000    
 C    2.870000     -0.6266000     -0.5224000    
 C   -2.353900      0.1882000     -0.4963000    
 C   0.4138000      -1.159400      0.7311000    
 C    1.216100     -0.1125000       1.186100    
 C   -2.356700      0.8967000      0.6766000    
 C   -2.283900       2.287900      0.6061000    
 C    2.049900      -1.676600     -0.9669000    
 C   0.8301000      -1.940100     -0.3432000    
 C    3.267200       1.216900       1.014800    
 C   -2.283000      0.7702000      -1.734900    
 C    4.100800     -0.3472000      -1.138300    
 C   -1.906700      -1.978000      0.6608000    
 C   -2.210500       2.920200     -0.6351000    
 C   -2.209900       2.161400      -1.805500    
 C   -3.013800      -1.953100      -1.575100    
 C    4.487000       1.480400      0.3908000    
 C    4.902900      0.6998000     -0.6837000    
 C   -2.284800       3.098900       1.857500    
 H   0.8755000      0.4889000       2.027200    
 H   -2.449700      0.4245000       1.649500    
 H    2.356500      -2.300900      -1.803600    
 H   0.2312000      -2.767900     -0.7113000    
 H    2.961900       1.840100       1.852800    
 H   -2.261200      0.2158000      -2.666000    
 H    4.446000     -0.9443000      -1.979800    
 H   -2.150200       4.003100     -0.7046000    
 H   -2.147600       2.654100      -2.771500    
 H   -2.278200      -1.983500      -2.385200    
 H   -3.928500      -1.446400      -1.899100    
 H   -3.270200      -2.988000      -1.339400    
 H    5.111800       2.295500      0.7443000    
 H    5.852600      0.9055000      -1.169000    
 H   -2.991900       2.688800       2.586400    
 H   -1.283800       3.106300       2.300300    
 H   -2.585800       4.134200       1.665100    


%chk=000005510-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005510

0 1
S -0.752674 -3.124751 -0.038632
O -0.411498 -0.394956 -0.243549
N -2.578119 -1.109456 -0.395719
C 3.198832 -0.056745 0.635976
C 3.823937 -0.673556 -0.517758
C -2.990600 0.273546 -0.567442
C 1.005990 -0.566072 -0.308599
C 1.767781 -0.016226 0.715233
C -2.678746 1.250267 0.405300
C -3.119240 2.588083 0.256447
C 2.989903 -1.219250 -1.550723
C 1.600360 -1.170256 -1.457703
C 4.031073 0.491015 1.667410
C -3.768388 0.619507 -1.699050
C 5.254773 -0.717010 -0.592582
C -1.268195 -1.510677 -0.235979
C -3.901232 2.924579 -0.878497
C -4.223417 1.946887 -1.846115
C -3.626096 -2.158407 -0.428763
C 5.423340 0.431752 1.567203
C 6.041072 -0.176516 0.428023
C -2.746565 3.638481 1.288543
H 1.272756 0.440929 1.578014
H -2.081867 0.965353 1.277487
H 3.461878 -1.681716 -2.425198
H 0.960768 -1.586753 -2.240238
H 3.558245 0.955433 2.540974
H -4.001088 -0.136550 -2.456766
H 5.725466 -1.184618 -1.465704
H -4.256936 3.954115 -1.002915
H -4.824514 2.219733 -2.720453
H -3.511623 -2.805235 -1.317013
H -4.609919 -1.666061 -0.440901
H -3.538524 -2.801484 0.463589
H 6.050098 0.850402 2.362269
H 7.133848 -0.216491 0.362148
H -2.790929 3.233017 2.315170
H -1.713769 4.002447 1.125470
H -3.417880 4.513040 1.237142


