%chk=000042812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042812

0 1
 S    1.075600      -1.761700       1.488600    
 S    1.180900       1.597900       1.506100    
 O    3.326300      -2.153900      0.1721000    
 O    3.256800       2.492200      0.1488000    
 O    1.433300      -1.970600      -1.111500    
 O    1.711800       1.297200      -1.055200    
 N   -1.354400      -1.389100      0.5243000    
 N   -1.267500       1.387900      0.5382000    
 C   -2.407800     -0.6680000      0.1022000    
 C   -2.363800      0.7382000      0.1094000    
 C   -3.560100      -1.307500     -0.3489000    
 C   -3.473800       1.453000     -0.3348000    
 C  -0.2673000     -0.7204000      0.9494000    
 C  -0.2246000      0.6484000      0.9563000    
 C   -4.665400     -0.5828000     -0.7915000    
 C   -4.622100      0.8033000     -0.7843000    
 C    1.982500      -1.982000     -1.5799999E-02
 C    2.100700       1.775900      4.1000000E-03
 C    4.105400      -2.328800      -1.016500    
 C    4.033600       2.670700      -1.040900    
 H   -3.607700      -2.394600     -0.3599000    
 H   -3.453300       2.541100     -0.3347000    
 H   -5.553700      -1.101200      -1.139200    
 H   -5.476100       1.379800      -1.126400    
 H    3.777800      -3.222100      -1.556500    
 H    5.150000      -2.459900     -0.7218000    
 H    4.028500      -1.441300      -1.652000    
 H    3.457400       3.222300      -1.789800    
 H    4.351500       1.700300      -1.433900    
 H    4.922000       3.253000     -0.7824000    


%chk=000042812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042812

0 1
S 1.717507 -0.882732 1.070419
S 1.034592 2.340945 1.548743
O 3.118937 -2.756509 -0.056577
O 3.189743 3.271597 0.401646
O 1.307242 -2.140744 -1.410524
O 1.947013 1.912624 -1.050531
N -0.892650 -1.073798 0.240021
N -1.435279 1.700988 0.585865
C -2.147639 -0.565088 -0.058400
C -2.426971 0.845208 0.119862
C -3.176692 -1.434355 -0.527301
C -3.724401 1.355558 -0.179097
C 0.048745 -0.223669 0.651298
C -0.232584 1.186691 0.839398
C -4.441127 -0.910804 -0.816195
C -4.715806 0.484505 -0.642813
C 1.970657 -2.040560 -0.370934
C 2.129263 2.452800 0.052632
C 3.576865 -3.709111 -1.105560
C 4.188640 3.511208 -0.676612
H -2.941301 -2.494811 -0.655332
H -3.907489 2.424809 -0.037969
H -5.234326 -1.571678 -1.181655
H -5.714285 0.868454 -0.877064
H 2.794640 -4.461816 -1.298611
H 4.477592 -4.170896 -0.679491
H 3.807611 -3.165269 -2.036706
H 3.701775 3.986871 -1.543990
H 4.647370 2.556734 -0.983246
H 4.928858 4.180148 -0.217775


