%chk=000126152.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126152

0 1
 S    2.762600      -3.359500      0.7184000    
 O   -4.110600      -1.045600      -2.052200    
 N    1.710700       1.679700     -0.1683000    
 C    2.225700     -0.7220000      0.1911000    
 C  -0.1149000      0.1521000      0.5318000    
 C   0.7318000      -1.064700      0.1250000    
 C    2.526800      0.5455000     -0.6255000    
 C   0.2748000       1.389400     -0.3004000    
 C    3.070000      -1.896300     -0.3013000    
 C    2.057800       2.891700     -0.9109000    
 C   -1.601700     -0.1439000      0.4488000    
 C    1.244400       4.077900     -0.3992000    
 C   -2.178100     -0.4628000     -0.7786000    
 C   -2.383700     -9.5100001E-02   1.600400    
 C    1.525700       4.349400       1.070700    
 C   -3.544100     -0.7344000     -0.8547000    
 C   -3.749600     -0.3667000       1.524500    
 C   -4.329900     -0.6863000      0.2969000    
 C    3.882300      -4.508200     -0.1163000    
 H    2.488700     -0.5129000       1.238700    
 H   0.1266000      0.3774000       1.581500    
 H   0.4713000      -1.892800      0.7935000    
 H   0.4786000      -1.389700     -0.8926000    
 H    3.589600      0.7905000     -0.5042000    
 H    2.358700      0.3535000      -1.694000    
 H   8.6000003E-03   1.254900      -1.357200    
 H  -0.3439000       2.203500      8.8299997E-02
 H    4.133700      -1.642500     -0.2409000    
 H    2.833100      -2.129900      -1.345200    
 H    3.125300       3.113000     -0.7865000    
 H    1.877000       2.765800      -1.986300    
 H    1.566700       4.962000     -0.9655000    
 H   0.1713000       4.001300     -0.5942000    
 H   -1.580000     -0.5034000      -1.685100    
 H   -1.946500      0.1524000       2.563800    
 H    1.148300       3.549600       1.715000    
 H    2.598800       4.465500       1.255100    
 H    1.033000       5.277800       1.378000    
 H   -4.361500     -0.3293000       2.421000    
 H   -5.395200     -0.8957000      0.2512000    
 H    3.832500      -5.482200      0.3774000    
 H    4.911500      -4.143900     -6.2700003E-02
 H    3.589400      -4.633500      -1.161900    
 H   -5.061300      -1.202900      -1.919700    


%chk=000126152-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126152

0 1
S 2.971485 -3.342031 0.858432
O -4.203439 -1.323337 -2.089811
N 1.581981 1.679893 -0.264534
C 2.158591 -0.721096 0.145280
C -0.225618 0.124822 0.488894
C 0.655947 -1.085494 0.083042
C 2.428216 0.546093 -0.704133
C 0.142858 1.354760 -0.385300
C 3.064692 -1.869749 -0.336144
C 1.952058 2.953332 -0.935043
C -1.720323 -0.172716 0.415222
C 1.420589 4.214378 -0.215773
C -2.312220 -0.623196 -0.789962
C -2.548786 0.019366 1.552835
C 1.942436 4.348487 1.229882
C -3.699033 -0.877128 -0.851842
C -3.935401 -0.237691 1.483979
C -4.524944 -0.687793 0.282142
C 4.176912 -4.483978 -0.025650
H 2.420966 -0.471308 1.193530
H 0.028400 0.391784 1.534011
H 0.439129 -1.948988 0.737962
H 0.406557 -1.400069 -0.952088
H 3.488541 0.845325 -0.598871
H 2.256207 0.297944 -1.787938
H -0.139295 1.142985 -1.451270
H -0.453928 2.223389 -0.056633
H 4.121130 -1.544819 -0.376642
H 2.757472 -2.224538 -1.337981
H 3.058804 3.004842 -0.954059
H 1.608897 2.964846 -2.002728
H 1.725682 5.096783 -0.813536
H 0.313113 4.215513 -0.215872
H -1.715814 -0.790176 -1.692685
H -2.102108 0.366970 2.491428
H 1.684353 3.448341 1.814412
H 3.044352 4.450556 1.244257
H 1.512200 5.234324 1.732268
H -4.564191 -0.089689 2.369024
H -5.603053 -0.889026 0.230525
H 4.232684 -5.407966 0.570896
H 5.176122 -4.021582 -0.080774
H 3.810311 -4.721480 -1.037629
H -5.178231 -1.482183 -2.033423


