%chk=000091401.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091401

0 1
 S   -1.247300       2.101200     -0.4528000    
 O    4.258600      -1.779600      0.2637000    
 N  -0.7632000     -0.9688000     -0.3768000    
 C   0.3940000     -0.1603000     -0.2439000    
 C   -2.088200     -0.5481000     -9.7999997E-02
 C   0.3010000       1.245600     -0.2400000    
 C   -2.427200      0.8194000     -7.9499997E-02
 C    1.680300     -0.7178000     -7.4400000E-02
 C    2.819400      7.9099998E-02  6.8800002E-02
 C  -0.5671000      -2.370600     -0.7684000    
 C    1.451100       2.042700     -0.1006000    
 C   -3.115900      -1.467100      0.2075000    
 C    2.705100       1.460800      5.2299999E-02
 C   -3.741200       1.231500      0.2048000    
 C   -4.419200      -1.051800      0.4940000    
 C   -4.733000      0.2987000      0.4894000    
 C    4.124000     -0.5400000      0.2440000    
 C    5.368800      0.3248000      0.4100000    
 H    1.798400      -1.798000     -2.6300000E-02
 H  -0.4124000      -3.001600      0.1137000    
 H   0.2847000      -2.492300      -1.448200    
 H   -1.417600      -2.760900      -1.340000    
 H    1.380700       3.128700     -0.1093000    
 H   -2.920900      -2.536100      0.2529000    
 H    3.559500       2.121300      0.1582000    
 H   -4.006500       2.286800      0.2079000    
 H   -5.183600      -1.787800      0.7258000    
 H   -5.744000      0.6266000      0.7107000    
 H    5.283000      0.9435000       1.307100    
 H    5.524600      0.9384000     -0.4811000    
 H    6.242000     -0.3245000      0.5299000    


%chk=000091401-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091401

0 1
S -1.302804 2.093641 -0.874261
O 4.160241 -1.858688 0.343767
N -0.777998 -0.945011 -0.607032
C 0.366250 -0.130465 -0.370481
C -2.076270 -0.537143 -0.178648
C 0.272058 1.294025 -0.407411
C -2.453305 0.834890 -0.188677
C 1.633121 -0.701604 -0.108506
C 2.787056 0.103254 0.082889
C -0.562773 -2.363531 -0.937475
C 1.404515 2.101167 -0.180050
C -3.035507 -1.484387 0.274134
C 2.666524 1.515238 0.050435
C -3.726738 1.248264 0.245420
C -4.326562 -1.074700 0.673155
C -4.679916 0.291336 0.665540
C 4.094890 -0.592233 0.327998
C 5.346650 0.248838 0.558347
H 1.771593 -1.784579 -0.043797
H -0.382725 -2.999699 -0.045711
H 0.307588 -2.451671 -1.607585
H -1.445438 -2.748099 -1.473728
H 1.295761 3.190477 -0.202597
H -2.771993 -2.544215 0.328047
H 3.538238 2.158323 0.202608
H -3.977484 2.314371 0.238288
H -5.049057 -1.828358 1.004432
H -5.676540 0.613482 0.982875
H 5.228678 0.905410 1.440375
H 5.556525 0.897618 -0.312356
H 6.203321 -0.422149 0.721404