%chk=000044553.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044553

0 1
 S  -0.9407000      0.5928000       1.489600    
 S   0.2752000       2.098300     -0.7557000    
 O    1.892300      0.6446000       2.019300    
 N   -2.409000       2.226800     -0.1189000    
 C   -3.566300       1.857400      0.7001000    
 C   -2.726600       3.170700      -1.194700    
 C   -1.116400       1.720100      0.1259000    
 C   -3.700600       2.808800       1.873600    
 C   -3.078800       2.417500      -2.463100    
 C  -0.3535000     -0.8085000      0.6772000    
 C   -1.393700      -1.731000      0.2006000    
 C   0.9706000      -1.002200      0.5427000    
 C   -1.852800      -2.734400       1.041300    
 C   -1.900300      -1.583900      -1.082500    
 C    3.308500     -3.6499999E-02  0.2827000    
 C    2.026700     -6.2700003E-02   1.028300    
 C   -2.839900      -3.610200      0.5891000    
 C   -2.887500      -2.459600      -1.534800    
 C   -3.357100      -3.472700     -0.6989000    
 C    3.302100     -0.3231000      -1.067900    
 C    4.470200      0.2741000      0.9610000    
 C    4.507600     -0.2982000      -1.769200    
 C    5.675600      0.2990000      0.2595000    
 C    5.694300      1.2800000E-02  -1.105500    
 H   -4.471000       1.899600      8.2300000E-02
 H   -3.499100      0.8248000       1.050600    
 H   -3.557200       3.815900     -0.8874000    
 H   -1.872800       3.828100      -1.382600    
 H   -2.815600       2.794200       2.516800    
 H   -3.843200       3.840400       1.535200    
 H   -4.566300       2.533700       2.484400    
 H   -2.254600       1.781100      -2.799500    
 H   -3.951800       1.773600      -2.313800    
 H   -3.312600       3.121500      -3.267900    
 H    1.320400      -1.891300      2.2399999E-02
 H   -1.458200      -2.854100       2.047100    
 H   -1.543100     -0.8030000      -1.748400    
 H   -3.205500      -4.399200       1.239800    
 H   -3.289900      -2.352800      -2.537900    
 H   -4.125600      -4.154600      -1.051000    
 H    2.396100     -0.5518000      -1.619900    
 H    4.473000      0.4944000       2.024400    
 H    4.522100     -0.5169000      -2.833000    
 H    6.600000      0.5403000      0.7763000    
 H    6.632800      3.3000000E-02  -1.651800    


%chk=000044553-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044553

0 1
S -0.643864 1.261509 0.514361
S -1.899521 1.511530 -2.353726
O 2.015458 1.154168 1.276848
N -3.160370 2.217906 -0.029557
C -3.324041 2.304795 1.449074
C -4.271771 2.803925 -0.832637
C -2.081519 1.663741 -0.668979
C -2.785036 3.626352 2.036740
C -5.350228 1.757872 -1.180268
C -0.075902 -0.349371 -0.144873
C -1.074361 -1.298986 -0.701708
C 1.253602 -0.699886 -0.035055
C -2.329182 -1.499984 -0.065229
C -0.763601 -2.068240 -1.856823
C 3.751156 -0.235833 0.334246
C 2.309773 0.133499 0.559117
C -3.242553 -2.452254 -0.562740
C -1.681584 -3.013286 -2.358117
C -2.925171 -3.211265 -1.713012
C 4.168569 -1.190132 -0.633096
C 4.736383 0.424854 1.117452
C 5.539286 -1.478938 -0.807670
C 6.103737 0.133405 0.946646
C 6.510272 -0.822278 -0.016234
H -4.404589 2.202562 1.660753
H -2.808328 1.447664 1.914246
H -4.702549 3.635455 -0.244540
H -3.834250 3.214137 -1.759316
H -1.694924 3.707202 1.886124
H -3.266946 4.502296 1.566203
H -2.986897 3.666039 3.122590
H -4.907743 0.947113 -1.783247
H -5.800457 1.321183 -0.269860
H -6.157101 2.230828 -1.769093
H 1.521378 -1.707259 -0.370821
H -2.570748 -0.926743 0.836868
H 0.178575 -1.885728 -2.384224
H -4.200270 -2.604110 -0.052420
H -1.435662 -3.583374 -3.260837
H -3.639444 -3.943412 -2.105698
H 3.433462 -1.692660 -1.270629
H 4.397103 1.166035 1.848737
H 5.850760 -2.210170 -1.561762
H 6.853217 0.646532 1.559209
H 7.573683 -1.049896 -0.151243


