%chk=000148801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148801

0 1
 S   -5.602500     -0.3833000      -1.032500    
 O   -6.832200      6.2500000E-02  -1.660600    
 O   -4.713000      -1.297600      -1.720700    
 N   0.5720000      0.3176000       1.246100    
 N    4.096800     -0.5138000     -0.8643000    
 N   -4.746600       1.000600     -0.4682000    
 C    1.767600      3.5900000E-02  0.5310000    
 C    2.152400      -1.292000      0.3203000    
 C    2.548500       1.088800      4.3499999E-02
 C  -0.7556000      0.4898000      0.8328000    
 C    3.341000      -1.524100     -0.3925000    
 C    3.721500      0.7635000     -0.6584000    
 C   -1.772400      0.7647000       1.756200    
 C   -3.399300      0.8278000     -2.8899999E-02
 C   -1.076900      0.3858000     -0.5264000    
 C   -3.088900      0.9330000       1.326900    
 C    1.386800      -2.369500      0.7988000    
 C    2.185900       2.432500      0.2407000    
 C   -2.393300      0.5542000     -0.9555000    
 C    3.729200      -2.844100     -0.6058000    
 C    4.503200       1.807300      -1.146300    
 C   -1.466900      0.8828000       3.214100    
 C    1.797100      -3.679900      0.5721000    
 C    2.984700       3.457500     -0.2574000    
 C    2.970800      -3.917300     -0.1316000    
 C    4.145700       3.143900     -0.9522000    
 C   -6.055700      -1.126600      0.5189000    
 H   0.7421000      0.4073000       2.242200    
 H  -0.3152000      0.1763000      -1.273100    
 H   -3.877900       1.145300       2.044900    
 H   0.4664000      -2.219500       1.357100    
 H    1.287200       2.713100      0.7839000    
 H   -2.617200      0.4822000      -2.016600    
 H    4.645100      -3.056200      -1.154500    
 H    5.417800       1.587400      -1.694100    
 H   -1.049600     -5.4299999E-02   3.597300    
 H  -0.7608000       1.700200       3.394700    
 H   -2.366400       1.098600       3.801200    
 H   -5.296200       1.645800      0.1153000    
 H    1.204700      -4.510300      0.9438000    
 H    2.703100       4.494500     -0.1028000    
 H    3.300100      -4.936000     -0.3138000    
 H    4.776400       3.936100      -1.344800    
 H   -6.626900     -0.4051000       1.106000    
 H   -6.675700      -1.999900      0.3037000    
 H   -5.153600      -1.439200       1.047100    


%chk=000148801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148801

0 1
S -5.762548 -1.117905 -0.725959
O -7.371967 -0.887251 -0.799234
O -4.942536 -1.849716 -1.922607
N 0.504796 0.868235 1.086865
N 4.083305 -0.625070 -0.793513
N -4.934744 0.725605 -0.514840
C 1.647797 0.356160 0.420286
C 1.766747 -1.023629 0.054106
C 2.753776 1.238039 0.188615
C -0.849644 0.779851 0.699443
C 3.009470 -1.451738 -0.586109
C 3.968455 0.681589 -0.398431
C -1.855693 1.193686 1.636858
C -3.593132 0.717206 -0.066551
C -1.230860 0.339739 -0.601685
C -3.205579 1.129970 1.243851
C 0.762646 -2.016495 0.329918
C 2.718235 2.645715 0.486030
C -2.578003 0.313711 -0.984038
C 3.146834 -2.826274 -0.992629
C 5.104526 1.542711 -0.596708
C -1.467751 1.674089 3.023642
C 0.940897 -3.341032 -0.060188
C 3.835305 3.450887 0.272339
C 2.136453 -3.748791 -0.745252
C 5.046259 2.891417 -0.260519
C -5.383631 -2.135097 0.876900
H 0.703837 1.529020 1.840969
H -0.459668 0.048017 -1.319968
H -3.980891 1.429121 1.962540
H -0.150825 -1.725265 0.854721
H 1.790686 3.104257 0.847646
H -2.871697 0.005083 -1.991345
H 4.081953 -3.104224 -1.487983
H 6.001924 1.088023 -1.026962
H -0.857613 0.923377 3.562292
H -0.881335 2.616186 2.992149
H -2.362125 1.879717 3.634353
H -5.598154 1.170729 0.150658
H 0.164926 -4.082698 0.157959
H 3.787787 4.522462 0.494626
H 2.251932 -4.792274 -1.057520
H 5.916395 3.537844 -0.417720
H -5.972795 -1.679830 1.684520
H -5.710931 -3.157926 0.644073
H -4.299519 -2.070935 1.042004


