%chk=000123606.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123606

0 1
 S    2.472900      0.1518000     -0.9855000    
 O    2.743200     -0.9587000      -1.879300    
 O    1.514600       1.182300      -1.338900    
 N    3.940100      0.8806000     -0.5372000    
 N   -3.038100      -2.937300     -8.4799998E-02
 N   -4.281600       2.786300     -5.6800000E-02
 C    3.907000       1.942000      0.5114000    
 C    5.104100     -9.1000004E-03 -0.2724000    
 C    5.018500       1.573600       1.484900    
 C    6.011600      0.8282000      0.6150000    
 C    1.984900     -0.5242000      0.5831000    
 C   0.6763000      -1.226400      0.3898000    
 C   -1.741700      -1.181900      0.3795000    
 C  -0.5140000     -0.5151000      0.5624000    
 C   -3.106400     -0.7888000      0.4686000    
 C   -1.726800      -2.534200      3.0900000E-02
 C   0.6649000      -2.573400      4.2300001E-02
 C   -3.613800      0.5555000      0.8106000    
 C  -0.5406000      -3.255900     -0.1444000    
 C   -3.879100      -1.889500      0.1780000    
 C   -3.807900       1.456000     -0.4232000    
 C   -4.412600       3.631100      -1.244900    
 C   -3.375600       3.407000      0.9107000    
 H    2.945600       2.054700       1.013900    
 H    4.134200       2.894800      1.8999999E-02
 H    5.601200     -0.2785000      -1.208300    
 H    4.803500     -0.9208000      0.2506000    
 H    4.628200      0.9070000       2.263500    
 H    5.454100       2.450100       1.972700    
 H    6.589800       1.536600      9.4999997E-03
 H    6.710300      0.2182000       1.193900    
 H    2.745400      -1.225300      0.9353000    
 H    1.873500      0.2696000       1.323900    
 H  -0.4979000      0.5372000      0.8327000    
 H   -4.567500      0.4636000       1.347300    
 H   -2.904300      0.9923000       1.521700    
 H    1.597600      -3.117300     -8.8699996E-02
 H  -0.5517000      -4.306300     -0.4153000    
 H   -4.951100      -2.022500      0.1335000    
 H   -3.335900      -3.871800     -0.3286000    
 H   -4.537100      0.9807000      -1.092400    
 H   -2.862800       1.517200     -0.9808000    
 H   -5.107500       3.180700      -1.962500    
 H   -3.451800       3.790400      -1.747900    
 H   -4.829500       4.608800     -0.9787000    
 H   -3.635500       4.463300       1.053000    
 H   -2.327300       3.365200      0.5926000    
 H   -3.474400       2.960500       1.904800    


%chk=000123606-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123606

0 1
S 2.386709 0.356448 -0.910685
O 2.618017 -0.814251 -2.019589
O 1.267129 1.525040 -1.108528
N 4.079574 1.329272 -0.909692
N -3.108292 -3.137188 -0.031191
N -4.055853 2.801879 -0.098124
C 4.155940 2.277029 0.243581
C 5.242425 0.396172 -0.772090
C 4.804198 1.492337 1.418226
C 5.743401 0.462348 0.712534
C 1.849847 -0.610098 0.907343
C 0.590974 -1.326702 0.677401
C -1.848612 -1.321251 0.525515
C -0.644294 -0.634553 0.786919
C -3.248983 -0.919402 0.535344
C -1.794184 -2.716556 0.160042
C 0.612069 -2.709964 0.286315
C -3.780326 0.463268 0.817987
C -0.571963 -3.418896 0.035519
C -3.981158 -2.053391 0.192501
C -3.492594 1.452549 -0.345440
C -4.150478 3.593789 -1.344129
C -3.334113 3.544238 0.956890
H 3.158215 2.702691 0.448431
H 4.809499 3.110602 -0.081461
H 6.019100 0.751749 -1.474707
H 4.943605 -0.611838 -1.114050
H 4.024841 0.973043 2.005805
H 5.351572 2.155778 2.109660
H 6.791312 0.808761 0.744670
H 5.708490 -0.524158 1.206788
H 2.746236 -1.224008 1.075595
H 1.793594 0.281786 1.546927
H -0.648178 0.429711 1.046650
H -4.873152 0.440084 0.980656
H -3.326009 0.848437 1.751826
H 1.579117 -3.211734 0.172550
H -0.542638 -4.473215 -0.259303
H -5.058225 -2.173052 0.089714
H -3.394741 -4.075425 -0.301758
H -3.963888 1.050202 -1.261633
H -2.390838 1.492205 -0.542418
H -4.762003 3.049001 -2.085271
H -3.156264 3.812310 -1.809318
H -4.647890 4.557866 -1.133106
H -3.815634 4.526716 1.110003
H -2.256244 3.720069 0.706548
H -3.380309 2.998606 1.915055


