%chk=000126010.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126010

0 1
 S   -4.323900     -0.1868000       1.127200    
 O    2.128100      0.7964000       1.700300    
 O    5.944200       1.202100       1.437800    
 O    5.199800     -0.8283000      0.7171000    
 O   -1.326500       1.231700      -1.073300    
 O   -4.985200       2.867100     -0.9529000    
 N    3.040700      0.4162000     -0.3923000    
 N  -0.2647000      0.3438000      0.8002000    
 N   -3.117700       2.560900      0.3302000    
 N   -1.200800      -3.243500       1.000300    
 N   -2.164400      -3.524700     -0.9807000    
 C    4.251400       1.201400     -0.1913000    
 C    4.827700       1.389200      -1.589900    
 C    2.974400     -0.1112000      -1.753000    
 C    4.354600      0.1456000      -2.338700    
 C   0.7792000     -0.3697000      0.1224000    
 C    2.036300      0.3390000      0.5599000    
 C   0.8423000      -1.842500      0.5066000    
 C    5.162300      0.3927000      0.6824000    
 C   -2.221600       1.712100       1.087500    
 C   -1.236600       1.089700      0.1433000    
 C   -2.964200      0.7068000       1.954600    
 C  -0.4115000      -2.581200      0.1028000    
 C   -4.300100      0.5885000     -0.5207000    
 C   -4.198800       2.100700     -0.3959000    
 C   -1.026200      -2.769400      -1.112700    
 C   -5.558100      0.1675000      -1.275100    
 C   -2.240500      -3.794100      0.3037000    
 H    3.999100       2.145400      0.3033000    
 H    4.388800       2.280200      -2.055200    
 H    5.916800       1.493200      -1.607100    
 H    2.708300      -1.170900      -1.756000    
 H    2.214000      0.4559000      -2.301000    
 H    5.019900     -0.6979000      -2.119400    
 H    4.331800      0.2847000      -3.423100    
 H   0.6161000     -0.2634000     -0.9526000    
 H   0.9943000      -1.946300       1.589400    
 H    1.700500      -2.330300      2.9400000E-02
 H  -0.2468000      0.3466000       1.816100    
 H   -1.648200       2.382700       1.740500    
 H   -2.299800     -3.8699999E-02   2.400800    
 H   -3.431900       1.241900       2.789500    
 H   -2.988100       3.566100      0.3953000    
 H   -3.449900      0.1996000      -1.083300    
 H    6.547700      0.6910000       2.018100    
 H   -1.048000      -3.314100       1.997600    
 H  -0.7093000      -2.399300      -2.077000    
 H   -5.619900     -0.9218000      -1.377600    
 H   -5.556200      0.5896000      -2.286800    
 H   -6.470200      0.5220000     -0.7806000    
 H   -3.013300      -4.373600      0.7882000    


%chk=000126010-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126010

0 1
S -3.941263 -0.519433 1.511346
O 2.203339 1.231858 1.536388
O 6.185667 0.674143 1.522121
O 4.756872 -1.103157 1.064608
O -1.794728 0.918526 -1.057499
O -5.643385 2.511556 -0.556892
N 3.121579 0.612784 -0.504116
N -0.309827 0.713676 0.727522
N -3.584170 2.497946 0.482671
N -1.516541 -2.402248 -0.192505
N -1.083243 -4.016915 -1.720974
C 4.467673 1.075456 -0.111164
C 5.239742 1.113237 -1.462053
C 3.088368 0.043249 -1.883774
C 4.583675 -0.030415 -2.277396
C 0.751760 0.022310 -0.016908
C 2.081552 0.687282 0.386044
C 0.839002 -1.507682 0.355036
C 5.101084 0.081090 0.873432
C -2.444945 1.868158 1.149635
C -1.490955 1.131194 0.152790
C -2.956773 0.913170 2.254539
C -0.124293 -2.401278 -0.369896
C -4.683950 0.313124 -0.078975
C -4.690149 1.848894 -0.050540
C 0.114913 -3.410520 -1.313863
C -6.080931 -0.273336 -0.308955
C -2.047472 -3.379395 -1.025098
H 4.421463 2.057461 0.386775
H 5.063584 2.090526 -1.945951
H 6.325602 0.988717 -1.325570
H 2.606737 -0.949035 -1.898468
H 2.522390 0.714788 -2.558011
H 5.004034 -1.005420 -1.975176
H 4.727664 0.085418 -3.363751
H 0.533272 0.130687 -1.093227
H 0.722869 -1.578182 1.454349
H 1.860451 -1.868310 0.136138
H -0.004192 1.062696 1.646077
H -1.861489 2.672872 1.640526
H -2.127688 0.448432 2.811824
H -3.609036 1.467612 2.947325
H -3.580079 3.511822 0.347809
H -3.984239 0.027082 -0.884666
H 6.598804 0.022942 2.151640
H -2.070789 -1.774569 0.408147
H 1.073949 -3.742769 -1.708519
H -6.035008 -1.373833 -0.390805
H -6.496091 0.134993 -1.245800
H -6.766571 -0.004902 0.511537
H -3.112337 -3.589702 -1.089431


