%chk=000045199.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045199

0 1
 S   -3.946100      0.9808000     -7.0000000E-02
 S    3.940600       1.025600     -0.1399000    
 N   3.7000000E-03  2.9700000E-02 -7.0000002E-03
 N   -6.475300      0.2430000     -0.1389000    
 N    6.071300     -0.1338000      0.8905000    
 N   -4.893300      -1.509900     -9.6699998E-02
 N    5.278700      -1.052600      -1.135600    
 C   -1.202400      0.8564000     -3.7599999E-02
 C    1.200200      0.8700000     -3.5999998E-02
 C   -2.439500     -3.3000000E-02 -3.1599998E-02
 C    2.445600     -5.2000000E-03 -0.1040000    
 C   7.7000000E-03 -0.8247000       1.179800    
 C   -5.202500     -0.2527000     -0.1037000    
 C    5.211100     -0.1934000     -0.1694000    
 H   -1.223100       1.546300      0.8171000    
 H   -1.200400       1.463500     -0.9522000    
 H    1.168700       1.513100     -0.9252000    
 H    1.237200       1.526400      0.8441000    
 H   -2.430900     -0.7076000     -0.8947000    
 H   -2.526600     -0.6210000      0.8840000    
 H    2.419200     -0.6424000     -0.9941000    
 H    2.573200     -0.6393000      0.7748000    
 H  -0.8143000      -1.545900       1.177800    
 H  -3.5100002E-02 -0.2469000       2.110400    
 H   0.8757000      -1.486500       1.227900    
 H   -7.281900     -0.3714000     -0.1609000    
 H   -6.651000       1.241800     -0.1428000    
 H    6.842000     -0.7868000      0.9808000    
 H    5.963200      0.5641000       1.618300    
 H   -5.756900      -2.063100     -0.1206000    
 H    4.521300     -0.8687000      -1.801600    


%chk=000045199-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045199

0 1
S -3.991510 0.758314 -1.385385
S 3.807337 1.113453 0.248232
N -0.191401 0.000727 0.152512
N -6.180884 0.223939 0.076599
N 6.348603 0.263920 0.551634
N -4.200823 -1.068076 0.662032
N 5.056898 -1.372928 -0.521466
C -1.432530 0.765879 -0.124493
C 1.023244 0.811988 0.377440
C -2.259952 0.027566 -1.195081
C 2.285665 0.018289 -0.015300
C -0.394953 -1.059404 1.166254
C -4.851621 -0.174301 -0.031365
C 5.152600 -0.199291 0.032108
H -2.056743 0.893212 0.788168
H -1.169046 1.774905 -0.490488
H 0.962027 1.717143 -0.254405
H 1.117876 1.152239 1.439056
H -1.794100 0.087495 -2.191571
H -2.417645 -1.024570 -0.910467
H 2.223520 -0.268737 -1.078037
H 2.413268 -0.880137 0.610795
H -1.367511 -1.550461 0.994908
H -0.399920 -0.650709 2.207064
H 0.396064 -1.827076 1.100533
H -6.791545 -0.205604 0.768608
H -6.568452 0.939027 -0.536638
H 7.175292 -0.317468 0.426501
H 6.385594 1.082099 1.153121
H -4.754313 -1.556895 1.390160
H 4.155059 -1.598738 -0.968030


