%chk=000052303.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052303

0 1
 S   -4.399200     -0.8375000     -0.5728000    
 S    4.626300      0.9912000      0.3917000    
 N   -1.706400     -0.3554000     -7.5199999E-02
 N    1.929400      0.5005000     -0.1045000    
 C  -0.3853000     -8.1400000E-02 -0.6464000    
 C   0.6099000      0.2453000      0.4629000    
 C   -2.686800     -0.5658000      -1.150800    
 C    2.916600      0.7017000      0.9695000    
 C   -1.623200      -1.513200      0.8197000    
 C    1.867500       1.658700      -1.004200    
 C   -4.681300      0.7434000      0.2628000    
 C    4.878500     -0.5322000     -0.5531000    
 C   -6.076500      0.7910000      0.8562000    
 C    4.730600      -1.746300      0.3441000    
 H  -2.8500000E-02 -0.9258000      -1.251700    
 H  -0.5098000      0.7771000      -1.313500    
 H   0.2566000       1.095900       1.061500    
 H   0.7254000     -0.6084000       1.137400    
 H   -2.409600      -1.432000      -1.763500    
 H   -2.714600      0.3047000      -1.816000    
 H    2.927400     -0.1472000       1.660600    
 H    2.641800       1.577900       1.570200    
 H   -1.156600      -2.379700      0.3365000    
 H   -1.078700      -1.278700       1.739300    
 H   -2.604100      -1.832800       1.185400    
 H    1.302000       1.437400      -1.914300    
 H    1.431400       2.538700     -0.5169000    
 H    2.850700       1.948300      -1.387300    
 H   -3.947500      0.8748000       1.063700    
 H   -4.559900       1.558800     -0.4570000    
 H    4.189300     -0.5811000      -1.401400    
 H    5.893700     -0.5030000     -0.9619000    
 H   -6.846100      0.6897000      8.3400004E-02
 H   -6.224200      1.1000000E-03   1.600700    
 H   -6.235900       1.751500       1.357400    
 H    5.344500      -1.670300       1.247900    
 H    3.692100      -1.931400      0.6322000    
 H    5.062700      -2.638600     -0.1988000    


%chk=000052303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052303

0 1
S -4.239927 -0.935827 -0.728675
S 4.460104 0.887018 0.245270
N -1.443648 -1.008210 -0.275242
N 1.632324 1.212879 0.170107
C -0.155880 -0.370859 -0.615572
C 0.380836 0.524206 0.534452
C -2.425343 -1.155344 -1.333193
C 2.742438 1.203521 1.090008
C -1.368298 -2.148413 0.652898
C 1.503601 2.419523 -0.658884
C -4.092530 0.825291 -0.042203
C 4.056754 -0.748265 -0.614401
C -5.199586 1.086236 0.990168
C 4.074376 -1.960787 0.329142
H 0.630665 -1.120539 -0.871596
H -0.304001 0.256991 -1.514230
H -0.421678 1.245861 0.811934
H 0.569896 -0.100586 1.427064
H -2.457677 -2.164032 -1.799815
H -2.244781 -0.402424 -2.117731
H 2.599574 0.419707 1.850749
H 2.928826 2.173278 1.598503
H -0.860391 -3.035940 0.203565
H -0.824050 -1.869510 1.571572
H -2.393593 -2.438773 0.942322
H 0.824648 2.236371 -1.509995
H 1.113228 3.295040 -0.087381
H 2.495515 2.681931 -1.068079
H -3.088048 0.879827 0.415658
H -4.152849 1.534426 -0.886552
H 3.065099 -0.603677 -1.081460
H 4.811200 -0.842174 -1.414070
H -6.204697 0.976845 0.544367
H -5.121998 0.380943 1.836188
H -5.116224 2.115621 1.387629
H 5.063756 -2.080303 0.803779
H 3.323996 -1.852502 1.133688
H 3.840561 -2.890449 -0.226184


