%chk=000021728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021728

0 1
 S    3.441400       2.124200      0.5178000    
 N   -3.369900       1.152100     -4.6000001E-03
 N   0.7403000      -3.089500     -0.1885000    
 C   -2.529100     -3.0300001E-02 -0.4639000    
 C   -1.808700     -0.6464000      0.7427000    
 C   -4.425300      0.6717000      0.9812000    
 C   -2.473700       2.179300      0.6721000    
 C   -4.051600       1.787800      -1.207700    
 C   -3.460300      -1.032300      -1.133700    
 C  -0.5782000      -1.428400      0.3788000    
 C   0.7274000     -0.9098000      0.2864000    
 C  -0.5590000      -2.757800      8.7300003E-02
 C    1.548000      -1.980400     -7.4800000E-02
 C    1.310500      0.3597000      0.4702000    
 C    2.689800      0.5106000      0.2864000    
 C    2.928200      -1.844600     -0.2620000    
 C    3.484300     -0.5760000     -7.4000001E-02
 C    2.062600       3.206800      4.5800000E-02
 C    4.323100       2.303200      -1.059300    
 H   -1.807400      0.3559000      -1.195500    
 H   -1.482100      7.9099998E-02   1.489300    
 H   -2.482300      -1.327200       1.281400    
 H   -3.960800      0.1675000       1.830700    
 H   -4.947200       1.561500       1.351600    
 H   -5.160400      3.7400000E-02  0.4818000    
 H   -3.021800       3.125700      0.7288000    
 H   -2.241800       1.874600       1.695000    
 H   -1.571000       2.317100      7.0100002E-02
 H   -4.479300       2.745100     -0.8916000    
 H   -3.305400       1.956700      -1.989500    
 H   -4.870200       1.155900      -1.559800    
 H   -2.858900      -1.854100      -1.542500    
 H   -4.170300      -1.509500     -0.4527000    
 H   -3.999300     -0.6358000      -1.996700    
 H   -1.338000      -3.506400      4.8200000E-02
 H    1.061000      -4.014500     -0.4393000    
 H   0.6709000       1.178300      0.7769000    
 H    3.547700      -2.690600     -0.5398000    
 H    4.558000     -0.4643000     -0.2051000    
 H    1.571500       2.857800     -0.8662000    
 H    2.459100       4.211300     -0.1286000    
 H    1.347200       3.269100      0.8692000    
 H    5.219400       1.678600      -1.044400    
 H    4.629000       3.346300      -1.175000    
 H    3.684100       2.015100      -1.898100    


%chk=000021728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021728

0 1
S 4.021739 1.469530 0.307712
N -3.078920 1.398446 0.273109
N 0.645181 -3.513537 0.056323
C -1.997444 0.347722 -0.223869
C -1.662148 -0.678913 0.892629
C -4.369766 0.762164 0.731085
C -2.443660 2.246513 1.387980
C -3.333065 2.389579 -0.869369
C -2.421198 -0.345824 -1.526808
C -0.521004 -1.599754 0.519607
C 0.881226 -1.252629 0.323626
C -0.618742 -2.981080 0.348152
C 1.586298 -2.476881 0.040071
C 1.608935 -0.032329 0.384417
C 3.000509 -0.065964 0.164171
C 2.980080 -2.513422 -0.182328
C 3.678037 -1.291410 -0.118190
C -0.201722 3.059492 -0.653101
C 3.518539 2.379109 -1.277909
H -1.140145 1.059807 -0.418175
H -1.391873 -0.146034 1.823317
H -2.547632 -1.307123 1.120298
H -4.178279 0.131834 1.612596
H -5.075879 1.563653 1.002099
H -4.795805 0.155574 -0.083759
H -3.151767 3.051301 1.649115
H -2.241755 1.619722 2.268918
H -1.499953 2.647556 0.877715
H -3.978246 3.196218 -0.482634
H -2.301802 2.771119 -1.112510
H -3.826391 1.876697 -1.707087
H -1.636173 -1.081989 -1.771175
H -3.374092 -0.905340 -1.445799
H -2.481439 0.353213 -2.375871
H -1.495778 -3.622492 0.421032
H 0.849850 -4.497400 -0.100807
H 1.103652 0.920003 0.580435
H 3.508128 -3.449173 -0.396744
H 4.759609 -1.266271 -0.285011
H -0.494327 4.120041 -0.846100
H 0.215305 2.655230 -1.606675
H 0.629544 3.093067 0.091647
H 3.737168 1.747515 -2.153059
H 4.135415 3.292224 -1.306023
H 2.451291 2.650737 -1.234652


