%chk=000226991.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226991

0 1
 S   -2.806900       1.920400     -0.6479000    
 O    3.720700      -1.623900      -1.293000    
 O    5.592100     -0.9567000      7.1099997E-02
 O   -3.917700       2.699800     -0.1367000    
 O   -2.464000       1.967400      -2.056500    
 N   -1.414100       2.253800      0.2737000    
 N  -0.2424000       1.448400     -2.4200000E-02
 N   -3.858100      -3.752700      0.7898000    
 C    3.412300     -0.5917000     -0.4614000    
 C    4.480800     -0.2108000      0.3175000    
 C   -3.119500      0.2331000     -0.2199000    
 C    2.060400       1.080200      0.5492000    
 C    2.186600      3.5200000E-02 -0.3691000    
 C    4.382700      0.8178000       1.231700    
 C    3.152200       1.469200       1.345100    
 C    5.103400      -1.849600     -0.9506000    
 C   -3.933800     -4.9100000E-02  0.8627000    
 C   -2.543800     -0.7725000     -0.9761000    
 C   -3.608600      -2.407100      0.4491000    
 C   0.7881000       1.772200      0.6845000    
 C   -4.180200      -1.380000       1.200000    
 C   -2.790300      -2.103300     -0.6390000    
 H    1.364600     -0.2906000     -0.9977000    
 H    5.226900       1.114600       1.843700    
 H    3.051600       2.282900       2.059500    
 H    5.713800      -1.719500      -1.851700    
 H    5.213500      -2.881300     -0.5970000    
 H   -4.381500      0.7359000       1.464200    
 H   -1.899300     -0.5562000      -1.822600    
 H   -1.492700       2.672900       1.208100    
 H   -4.818100      -1.603900       2.051200    
 H   -2.337800      -2.894800      -1.231000    
 H   0.7376000       2.591400       1.425000    
 H   -4.450800      -3.973600       1.578900    
 H   -3.443500      -4.497800      0.2460000    


%chk=000226991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226991

0 1
S -2.707299 1.780904 -0.553852
O 3.785776 -1.807311 -0.933498
O 5.819178 -0.843269 -0.100193
O -3.856199 2.826034 -0.062690
O -2.068478 1.836372 -2.049770
N -1.331701 2.087027 0.806289
N -0.156159 1.465035 0.501184
N -4.392744 -3.905980 0.586436
C 3.512336 -0.586559 -0.263035
C 4.715199 -0.022820 0.228841
C -3.215817 0.037284 -0.193852
C 2.255143 1.233233 0.684202
C 2.273192 0.004604 -0.055010
C 4.723930 1.167229 0.959636
C 3.467944 1.789976 1.179965
C 5.266095 -1.906249 -0.985580
C -4.151094 -0.194671 0.831756
C -2.660417 -0.995969 -0.970739
C -4.002823 -2.598659 0.326794
C 0.997718 1.940496 0.935891
C -4.546393 -1.517365 1.088520
C -3.058819 -2.316936 -0.708692
H 1.340164 -0.424312 -0.426513
H 5.653911 1.594918 1.341538
H 3.433320 2.728096 1.745582
H 5.607078 -1.720982 -2.021042
H 5.575565 -2.889343 -0.597942
H -4.568287 0.643005 1.399524
H -1.948287 -0.761330 -1.767931
H -1.338499 3.120969 0.974383
H -5.277635 -1.722512 1.878660
H -2.640787 -3.138306 -1.301706
H 1.055732 2.873767 1.529470
H -5.065367 -4.115328 1.318693
H -4.011273 -4.680949 0.051283


