%chk=000049286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049286

0 1
 S   -2.648800      0.5183000     -0.2772000    
 O   -1.107700     -0.9021000       2.183600    
 O   9.7499996E-02  0.2128000      -2.215800    
 O   0.8147000      -4.016000     -0.5847000    
 N  -5.7300001E-02  -2.427900      0.8305000    
 N   0.5454000      -1.870900      -1.366900    
 C  -1.1800000E-02 -5.9599999E-02  0.1913000    
 C    1.356400      0.4366000      0.6921000    
 C    1.941700       1.549500     -0.1969000    
 C   -1.012600       1.105000      0.2122000    
 C    1.227300      0.9413000       2.131400    
 C  -0.4738000      -1.146000       1.157300    
 C   0.1843000     -0.5375000      -1.244000    
 C    3.332200       2.013700      0.2433000    
 C   0.4744000      -2.849100     -0.3824000    
 C    3.893800       3.060200     -0.7074000    
 C   -3.548200       2.082400     -0.1497000    
 C   -5.007300       1.889500     -0.5166000    
 H    2.069100     -0.4003000      0.6979000    
 H    1.288100       2.428200     -0.2117000    
 H    2.042600       1.203000      -1.229500    
 H  -0.7406000       1.903900     -0.4829000    
 H   -1.132000       1.541200       1.206800    
 H    2.222100       1.142100       2.545600    
 H   0.8057000      0.2150000       2.827300    
 H   0.6716000       1.879900       2.212700    
 H    4.016500       1.158700      0.2857000    
 H    3.297600       2.459500       1.242200    
 H  -0.2311000      -3.151900       1.522200    
 H   0.8159000      -2.184300      -2.295000    
 H    3.991400       2.658400      -1.721000    
 H    3.246600       3.942200     -0.7478000    
 H    4.885400       3.381800     -0.3738000    
 H   -3.475200       2.459900      0.8751000    
 H   -3.095100       2.816600     -0.8232000    
 H   -5.119700       1.534100      -1.546600    
 H   -5.499900       1.176800      0.1536000    
 H   -5.541100       2.842300     -0.4358000    


%chk=000049286-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049286

0 1
S -2.888187 0.783055 0.717989
O -0.834843 -1.012207 2.683393
O -0.462266 0.657018 -1.783428
O 0.252355 -3.830686 -0.841345
N -0.152395 -2.369924 0.941608
N -0.009607 -1.545894 -1.265614
C -0.120672 0.111706 0.605140
C 1.435745 0.487475 0.844382
C 1.821899 1.822165 0.143035
C -1.068604 1.268029 0.979884
C 1.810115 0.524219 2.346420
C -0.433980 -1.103991 1.496925
C -0.254864 -0.210483 -0.893680
C 3.336361 1.919855 -0.163598
C 0.055849 -2.665810 -0.415969
C 3.714370 3.268356 -0.813476
C -3.320202 1.892423 -0.770147
C -4.743513 1.558588 -1.237701
H 2.020785 -0.327709 0.366202
H 1.527196 2.672218 0.791382
H 1.269122 1.938656 -0.808116
H -0.870478 2.147117 0.350132
H -0.959277 1.525422 2.042872
H 2.857266 0.859283 2.451124
H 1.725903 -0.461365 2.834103
H 1.172538 1.229269 2.908228
H 3.621644 1.089823 -0.841866
H 3.926443 1.783072 0.764127
H -0.236934 -3.179912 1.564544
H 0.032188 -1.749364 -2.269568
H 3.162000 3.421921 -1.759363
H 3.472909 4.114299 -0.142770
H 4.794823 3.315744 -1.040999
H -3.243551 2.941574 -0.435760
H -2.569694 1.699407 -1.553710
H -4.819113 0.507270 -1.567735
H -5.483166 1.721889 -0.433340
H -5.020069 2.204794 -2.091409


