%chk=000061049.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061049

0 1
 S    2.274700      -1.903200      -1.620800    
 S  -0.8635000      0.1982000      0.2549000    
 S    2.934500      -2.312400       1.293600    
 S   -2.275400      -1.901200       1.901900    
 S   0.3363000      -2.459800      -1.220800    
 S  -0.7980000     -0.7830000      -1.550200    
 N    3.231500     -4.3600000E-02 -5.4900002E-02
 N   -3.427700      0.1663000      0.6895000    
 C    4.939500       2.251900      0.2318000    
 C   -5.506400       1.398500     -0.8691000    
 C    4.396000       1.509900       1.453300    
 C    5.068700       1.311700     -0.9672000    
 C   -5.418800     -0.1211000     -0.7238000    
 C   -4.125100       2.041400     -0.7393000    
 C    3.087400      0.7953000       1.129100    
 C    3.750700      0.5992000      -1.256300    
 C   -4.712300     -0.5135000      0.5704000    
 C   -3.437900       1.618200      0.5557000    
 C    2.835800      -1.340700     -5.8400001E-02
 C   -2.290000     -0.5119000      0.9806000    
 H    4.267400       3.080300     -2.3100000E-02
 H    5.916000       2.689300      0.4674000    
 H   -6.173300       1.802600     -9.7700000E-02
 H   -5.944500       1.653800      -1.840300    
 H    4.241700       2.214900       2.277500    
 H    5.139400      0.7758000       1.788100    
 H    5.846600      0.5673000     -0.7548000    
 H    5.391200       1.875300      -1.849700    
 H   -6.423500     -0.5571000     -0.7486000    
 H   -4.865600     -0.5302000      -1.578600    
 H   -3.507400       1.744100      -1.595600    
 H   -4.220600       3.132300     -0.7709000    
 H    2.720600      0.2610000       2.008300    
 H    2.318800       1.540900      0.8879000    
 H    2.996100       1.317700      -1.598400    
 H    3.952600     -9.4300002E-02  -2.075400    
 H   -5.318800     -0.2243000       1.437200    
 H   -4.614800      -1.602300      0.5793000    
 H   -2.464000       2.101700      0.6506000    
 H   -4.024000       1.993300       1.405600    


%chk=000061049-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061049

0 1
S 2.032769 -1.251231 -3.037213
S -0.378518 2.825529 -1.302146
S 4.503402 -2.363515 -2.207269
S -0.827350 3.241063 1.508808
S -0.284683 -0.646361 -2.678206
S -0.677589 1.469990 -3.280029
N 3.016117 -0.932503 -0.366518
N -2.821806 2.109394 -0.028587
C 3.719589 1.139511 1.589317
C -4.925623 0.064332 -0.148737
C 4.730271 0.046284 1.168597
C 2.690417 1.392577 0.465447
C -4.159864 0.376899 1.157830
C -4.057578 0.409272 -1.381230
C 3.995282 -1.235990 0.720794
C 1.997545 0.081080 0.029352
C -3.652502 1.836221 1.181196
C -3.549025 1.864139 -1.305516
C 3.176641 -1.437583 -1.605928
C -1.573709 2.619875 0.080888
H 3.188686 0.816370 2.508787
H 4.249855 2.076583 1.839786
H -5.860441 0.661609 -0.177892
H -5.223397 -0.999872 -0.173809
H 5.406764 -0.209942 2.005894
H 5.361081 0.408780 0.334449
H 3.190278 1.842808 -0.413649
H 1.906228 2.099273 0.793422
H -4.808383 0.217829 2.039985
H -3.293709 -0.305158 1.258341
H -3.188640 -0.273790 -1.444027
H -4.636292 0.287629 -2.315635
H 4.697482 -2.000971 0.352783
H 3.417804 -1.659886 1.566867
H 1.409529 -0.338728 0.869585
H 1.308886 0.260088 -0.807258
H -4.505949 2.544388 1.178642
H -3.041054 2.042133 2.074117
H -2.891322 2.096649 -2.154666
H -4.407291 2.567521 -1.327771


