%chk=000049241.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049241

0 1
 S    1.905700      8.0000004E-03  0.3679000    
 O  -0.3735000     -0.1582000      -1.961700    
 O  -0.3151000      0.1439000       2.659200    
 O   -3.224600       2.750100      0.2742000    
 N   -1.953400       1.187900     -0.9073000    
 N   -1.810900       1.388600       1.444300    
 C  -0.7790000     -0.5522000      0.3851000    
 C   -1.875800      -1.627200      0.4923000    
 C   0.5968000      -1.236900      0.3997000    
 C  -0.9821000      0.1744000     -0.9430000    
 C  -0.9068000      0.3510000       1.600700    
 C   -1.793700      -2.601100     -0.6724000    
 C   -2.404400       1.828200      0.2631000    
 C   -2.891300      -3.648800     -0.5789000    
 C    3.335000      -1.100200      0.3925000    
 C    4.668200     -0.3545000      0.4455000    
 C   -2.415800       1.726100      -2.181100    
 C    4.919800      0.5427000     -0.7694000    
 C    6.300800       1.178200     -0.7107000    
 H   -2.871400      -1.164000      0.5084000    
 H   -1.779800      -2.172500       1.440800    
 H   0.7188000      -1.854000       1.297200    
 H   0.7618000      -1.871800     -0.4746000    
 H  -0.8435000      -3.141600     -0.6872000    
 H   -1.910300      -2.098800      -1.636900    
 H   -2.024700       1.928300       2.278500    
 H   -2.822100      -4.347500      -1.418800    
 H   -3.882200      -3.184100     -0.6067000    
 H   -2.807500      -4.225100      0.3481000    
 H    3.259700      -1.748700       1.271800    
 H    3.305600      -1.736300     -0.4987000    
 H    5.471700      -1.099000      0.5117000    
 H    4.723900      0.2430000       1.364400    
 H   -3.459900       2.043300      -2.105400    
 H   -2.321400      0.9833000      -2.978300    
 H   -1.799600       2.596700      -2.426900    
 H    4.835600     -4.6599999E-02  -1.689900    
 H    4.175400       1.343700     -0.8253000    
 H    6.462700       1.814400      -1.586500    
 H    7.084500      0.4142000     -0.6970000    
 H    6.409000       1.798500      0.1848000    


%chk=000049241-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049241

0 1
S 2.024683 -0.732203 1.520910
O 0.248833 -0.932355 -1.555037
O -1.173912 -0.169158 3.005471
O -1.457957 3.181145 -0.176992
N -0.677029 1.084342 -0.905925
N -1.333536 1.444901 1.359790
C -0.705455 -0.882429 0.700629
C -2.030321 -1.736114 0.499622
C 0.461047 -1.764315 1.205740
C -0.315754 -0.257185 -0.649494
C -1.057663 0.140818 1.792284
C -1.913110 -2.971456 -0.420624
C -1.177327 1.980324 0.068759
C -3.293085 -3.634606 -0.627250
C 3.112377 -1.290857 0.052226
C 4.255076 -0.284278 -0.170972
C -0.396358 1.621463 -2.260013
C 3.792938 1.087657 -0.714886
C 4.970855 2.057863 -0.945887
H -2.823411 -1.064756 0.109901
H -2.350855 -2.055603 1.510505
H 0.185165 -2.234891 2.161733
H 0.713902 -2.530443 0.458887
H -1.219242 -3.708478 0.026239
H -1.481443 -2.683530 -1.396084
H -1.640667 2.116244 2.071494
H -3.208054 -4.533718 -1.263646
H -4.000582 -2.939936 -1.118148
H -3.739828 -3.943766 0.336484
H 3.503517 -2.291557 0.303656
H 2.455857 -1.356844 -0.831913
H 4.964402 -0.738743 -0.894079
H 4.824146 -0.141482 0.770271
H -0.820869 2.633324 -2.317729
H -0.848946 0.962983 -3.017500
H 0.692322 1.656380 -2.432415
H 3.244600 0.927680 -1.666391
H 3.070267 1.535274 -0.005300
H 4.621434 3.030480 -1.338114
H 5.696111 1.641753 -1.670938
H 5.514070 2.251472 -0.001763


