%chk=000094743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094743

0 1
 S  -0.4835000       2.622000      -1.020700    
 S   0.5614000       2.697600      0.7511000    
 N   -4.728400      -1.400100      0.2409000    
 N    4.686500      -1.552000     -9.2900001E-02
 C   -3.727300     -0.4519000     -5.6200001E-02
 C    3.713800     -0.5500000      0.1056000    
 C   -3.634800      0.7222000      0.6911000    
 C    3.980600      0.7659000     -0.2722000    
 C   -2.830200     -0.6883000      -1.097800    
 C    2.485100     -0.8752000      0.6804000    
 C   -1.747800       1.423600     -0.6449000    
 C    1.791200       1.430300      0.4992000    
 C   -2.645000       1.660000      0.3967000    
 C    3.018700       1.756700     -7.5199999E-02
 C   -1.840300      0.2495000      -1.392000    
 C    1.523200      0.1157000      0.8772000    
 C   -5.222100      -1.545900       1.595700    
 C   -5.286200      -2.231200     -0.8074000    
 C    6.097400      -1.222700     -5.5199999E-02
 C    4.287800      -2.926300     -0.3233000    
 H   -4.326400      0.9433000       1.499100    
 H    4.922300       1.050400     -0.7331000    
 H   -2.867400      -1.597800      -1.690600    
 H    2.249800      -1.887200      0.9971000    
 H   -2.601700       2.573200      0.9852000    
 H    3.243500       2.776500     -0.3781000    
 H   -1.147200      4.6500001E-02  -2.204800    
 H   0.5727000     -0.1562000       1.330000    
 H   -4.406500      -1.507200       2.326600    
 H   -5.721000      -2.511900       1.732300    
 H   -5.951100     -0.7629000       1.829500    
 H   -5.469200      -1.655000      -1.721500    
 H   -6.250000      -2.655700     -0.5047000    
 H   -4.616800      -3.066500      -1.037900    
 H    6.326600     -0.5327000      0.7648000    
 H    6.416600     -0.7740000      -1.001700    
 H    6.708300      -2.117900      0.1068000    
 H    5.100300      -3.501600     -0.7813000    
 H    3.434800      -2.987500      -1.008600    
 H    4.027200      -3.418200      0.6196000    


%chk=000094743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094743

0 1
S -0.635774 2.972908 -0.494239
S 0.818657 2.697432 1.385555
N -4.805390 -1.411278 0.142649
N 4.729381 -1.634647 -0.328316
C -3.838062 -0.411771 0.012561
C 3.821016 -0.641780 0.046230
C -4.010808 0.870747 0.632543
C 4.085703 0.742941 -0.220492
C -2.639990 -0.631279 -0.744223
C 2.594120 -0.970907 0.712052
C -1.858108 1.652565 -0.265229
C 1.963780 1.404495 0.833726
C -3.037637 1.873237 0.494343
C 3.171638 1.736735 0.164371
C -1.674612 0.381830 -0.873065
C 1.689926 0.034947 1.092543
C -6.022757 -1.161518 0.925485
C -4.612414 -2.713505 -0.508036
C 5.982155 -1.271715 -1.004080
C 4.438664 -3.045283 -0.042415
H -4.907470 1.085050 1.220639
H 5.006926 1.042776 -0.727691
H -2.463277 -1.592289 -1.235267
H 2.348004 -2.012237 0.937795
H -3.185018 2.845938 0.975562
H 3.387925 2.788833 -0.049494
H -0.764555 0.198296 -1.454244
H 0.757828 -0.232826 1.601664
H -5.789217 -0.917276 1.981528
H -6.654495 -2.063626 0.919183
H -6.618096 -0.325435 0.505497
H -4.517067 -2.612913 -1.608394
H -5.480325 -3.359186 -0.301322
H -3.705728 -3.230758 -0.133246
H 6.606957 -0.601762 -0.379161
H 5.795640 -0.760900 -1.970468
H 6.565078 -2.183122 -1.209708
H 5.269002 -3.671547 -0.404430
H 3.511088 -3.384969 -0.546679
H 4.322210 -3.228703 1.045073


