%chk=000052368.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052368

0 1
 S   0.2728000       3.173600      0.6268000    
 S  -0.2659000      -3.156700     -0.5575000    
 S    2.961100       3.275200     -0.6019000    
 S   -3.003500      -3.217700      0.5599000    
 N    1.675400      0.9208000      5.9799999E-02
 N   -1.618900     -0.8679000     -1.7999999E-02
 N    5.719400      -1.792300     -0.2254000    
 N   -5.787600       1.681300      0.1446000    
 C   0.5344000      0.1507000      0.5638000    
 C  -0.4918000     -0.1301000     -0.5209000    
 C    2.777200      8.7899998E-02 -0.4298000    
 C   -2.752400     -3.3300001E-02  0.4289000    
 C    3.770100     -0.2694000      0.6695000    
 C   -3.761800      0.2220000     -0.6838000    
 C    1.705100       2.327900      7.7999998E-03
 C   -1.699300      -2.289100      2.7799999E-02
 C    4.859100      -1.120600      0.1685000    
 C   -4.893700       1.037600     -0.2200000    
 H   0.9093000     -0.7849000      0.9955000    
 H   6.9300003E-02  0.6704000       1.407100    
 H  -0.8520000      0.8063000     -0.9637000    
 H  -2.6300000E-02 -0.6588000      -1.358300    
 H    3.297400      0.5955000      -1.249000    
 H    2.358400     -0.8225000     -0.8772000    
 H   -2.359000      0.9146000      0.8176000    
 H   -3.245400     -0.5135000       1.281400    
 H    4.193400      0.6428000       1.105500    
 H    3.255400     -0.7884000       1.486500    
 H   -3.269000      0.7317000      -1.520400    
 H   -4.140000     -0.7243000      -1.085500    
 H   0.7084000       4.418900      0.3866000    
 H  -0.7380000      -4.395600     -0.3569000    


%chk=000052368-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052368

0 1
S 0.266298 3.067152 0.667081
S -0.260297 -3.064605 -0.665951
S 3.144152 3.104115 -0.511730
S -3.136707 -3.098433 0.516047
N 1.716634 0.843745 0.080541
N -1.706571 -0.839512 -0.075031
N 5.891981 -1.755390 -0.156680
N -5.878548 1.767354 0.158443
C 0.527282 0.108979 0.570744
C -0.516683 -0.105660 -0.565289
C 2.848694 0.022965 -0.417373
C -2.838054 -0.017417 0.422273
C 3.946776 -0.137164 0.675953
C -3.935445 0.145184 -0.671464
C 1.801698 2.216923 0.043969
C -1.792811 -2.212607 -0.038192
C 5.026867 -1.028054 0.225951
C -5.014318 1.037508 -0.221436
H 0.858535 -0.870715 0.955620
H 0.066992 0.656073 1.412799
H -0.847217 0.874080 -0.950749
H -0.056602 -0.653477 -1.406940
H 3.285033 0.517218 -1.301848
H 2.454536 -0.965001 -0.712184
H -2.442497 0.969931 0.717250
H -3.275354 -0.511053 1.306616
H 4.363378 0.860725 0.907671
H 3.506590 -0.546036 1.604933
H -3.494102 0.554008 -1.599888
H -4.353507 -0.851931 -0.904001
H 0.794090 4.327291 0.475129
H -0.789226 -4.324095 -0.472962


