%chk=000013263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013263

0 1
 S  -0.1263000      -3.152300      0.4295000    
 N    1.866300       1.431600      5.2400000E-02
 N   -2.805700       1.049800     -0.1074000    
 N  -0.4723000       1.272600     -2.9999999E-02
 N   0.8840000     -0.6905000      0.2251000    
 N   -1.506200     -0.8859000      0.1435000    
 C    3.207000      0.8987000      0.1644000    
 C    4.151400       2.006300      0.6123000    
 C    3.634800      0.3122000      -1.174600    
 C   0.7257000      0.6484000      8.3499998E-02
 C   -1.532800      0.4498000      7.7000000E-03
 C   -4.021800      0.2988000     -8.3499998E-02
 C  -0.2644000      -1.386100      0.2464000    
 C   -5.212800       1.229600     -0.2061000    
 C    1.473000      -3.483000     -0.3632000    
 H    3.241600      0.1139000      0.9306000    
 H    1.736600       2.424800     -0.1036000    
 H    5.172300       1.626800      0.7265000    
 H    4.174400       2.829900     -0.1105000    
 H    3.835400       2.421900       1.575600    
 H    2.988400     -0.5164000      -1.481300    
 H    4.659300     -7.1300000E-02  -1.119400    
 H    3.599500       1.066900      -1.968600    
 H   -4.043800     -0.4195000     -0.9113000    
 H   -4.106200     -0.2636000      0.8537000    
 H   -2.822300       2.057800     -0.2117000    
 H   -5.236100       1.950100      0.6185000    
 H   -5.175900       1.795100      -1.143300    
 H   -6.146900      0.6595000     -0.1878000    
 H    1.639300      -4.563100     -0.3940000    
 H    2.287200      -3.024100      0.2042000    
 H    1.478900      -3.100200      -1.387500    


%chk=000013263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013263

0 1
S -0.248804 -3.266983 -0.028825
N 1.844419 1.391936 0.015233
N -2.815568 1.058421 -0.091291
N -0.487222 1.273872 -0.044249
N 0.871943 -0.759734 -0.019628
N -1.556255 -0.927944 -0.060441
C 3.227466 0.868462 0.012310
C 4.154450 1.905915 0.677125
C 3.689491 0.507877 -1.420075
C 0.715971 0.616548 -0.020144
C -1.589676 0.452404 -0.064578
C -4.091354 0.322371 -0.116337
C -0.299408 -1.447985 -0.034844
C -5.271866 1.307085 -0.114370
C 1.607635 -3.565279 0.016992
H 3.215014 -0.058856 0.613440
H 1.686719 2.401333 -0.010551
H 5.190371 1.525876 0.709450
H 4.165640 2.854317 0.104766
H 3.832823 2.124821 1.711019
H 2.998135 -0.226540 -1.867326
H 4.702859 0.065438 -1.399930
H 3.716464 1.406821 -2.063841
H -4.124053 -0.327072 -1.011667
H -4.141582 -0.352444 0.758756
H -2.812740 2.079321 -0.094556
H -5.267514 1.938481 0.793620
H -5.246263 1.968563 -1.000518
H -6.226299 0.753569 -0.135396
H 1.728447 -4.660217 0.011655
H 2.032688 -3.127921 0.930992
H 2.079672 -3.113953 -0.866692


