%chk=000005637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005637

0 1
 S   -3.044900     -0.9610000      -1.155900    
 S    3.047100     -0.8885000       1.248600    
 N   -4.589400       1.532600      -2.156800    
 N    4.466200       1.717600       2.142800    
 N  -0.6546000      0.3573000      -1.094000    
 N   0.6516000      0.3803000       1.024300    
 N   -1.961300      -4.063300      0.3204000    
 N    1.991500      -4.105700     -0.2494000    
 C   -3.646700      0.4138000     -0.1891000    
 C    3.642400      0.4445000      0.2160000    
 C   -4.334000       1.484400     -0.7671000    
 C    4.269000       1.571400      0.7504000    
 C   -3.414700      0.4042000       1.188500    
 C    3.465800      0.3363000      -1.164100    
 C   -4.786100       2.538000      2.7300000E-02
 C    4.717600       2.587600     -9.3300000E-02
 C   -1.302100     -0.8233000     -0.8003000    
 C    1.329700     -0.7948000      0.7852000    
 C  -0.6710000      -1.872100     -0.2010000    
 C   0.7388000      -1.880700      0.2149000    
 C   -3.866800       1.457800       1.983000    
 C    3.914400       1.352500      -2.007900    
 C   -4.552400       2.524800       1.402400    
 C    4.540300       2.478200      -1.472400    
 C   -1.385700      -3.083100      8.6199999E-02
 C    1.435200      -3.109000     -3.8600001E-02
 H   -2.892100     -0.4180000       1.671500    
 H    2.992700     -0.5336000      -1.612900    
 H   -5.321900       3.376200     -0.4112000    
 H    5.207100       3.470700      0.3096000    
 H   -3.686700       1.446700       3.054000    
 H    3.778600       1.266300      -3.082000    
 H   -4.904700       3.344900       2.021200    
 H    4.889900       3.269200      -2.129600    
 H   -5.087300       2.317000      -2.556000    
 H   -4.267500      0.7806000      -2.751500    
 H    4.921600       2.543000       2.508500    
 H    4.145800      0.9941000       2.772600    
 H   0.3534000      0.4234000      -1.081200    
 H   -1.187300       1.090100      -1.546500    
 H    1.157900       1.130700       1.478900    
 H  -0.3570000      0.4249000       1.003300    


%chk=000005637-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005637

0 1
S -3.386748 -0.945596 0.905768
S 3.384907 -0.954076 -0.865653
N -5.082014 -0.470805 -1.635973
N 5.075165 -0.371601 1.658666
N -2.056310 -0.111073 -1.362679
N 2.048767 -0.044117 1.370235
N -0.376897 -1.721717 2.946776
N 0.381084 -1.834875 -2.872437
C -4.420624 0.544008 0.506438
C 4.408693 0.556086 -0.521875
C -5.192046 0.572735 -0.693810
C 5.178744 0.635642 0.676931
C -4.495580 1.599240 1.438132
C 4.477614 1.575601 -1.493090
C -6.018455 1.703796 -0.939559
C 5.997216 1.780878 0.879916
C -1.866841 -0.637068 -0.112030
C 1.862858 -0.618655 0.140544
C -0.629231 -1.007408 0.428399
C 0.627932 -1.018693 -0.384657
C -5.323705 2.716644 1.186413
C 5.297963 2.707331 -1.283678
C -6.077844 2.761450 -0.009908
C 6.050416 2.802789 -0.089247
C -0.548018 -1.412847 1.797267
C 0.549700 -1.479081 -1.736214
H -3.898541 1.541475 2.353828
H 3.881785 1.478794 -2.406280
H -6.614975 1.744736 -1.858891
H 6.592684 1.860882 1.797362
H -5.375944 3.536013 1.909680
H 5.345514 3.498717 -2.037769
H -6.723225 3.622145 -0.218138
H 6.689911 3.675039 0.086475
H -5.724037 -0.471688 -2.428382
H -4.799573 -1.389052 -1.278672
H 5.716605 -0.336501 2.450814
H 4.801279 -1.305490 1.337065
H -1.254338 0.042594 -1.976092
H -2.998017 -0.057057 -1.769583
H 2.990357 0.032268 1.773782
H 1.246170 0.124534 1.978924


