%chk=000003077.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003077

0 1
 S    1.925200      0.7007000     -0.7066000    
 N   -3.203100     -6.3000001E-02 -0.2302000    
 N    4.123700      0.8109000      0.7434000    
 N    3.590200      -1.305900     -0.1580000    
 C   -1.908500     -0.5468000      0.2350000    
 C  -0.7777000      0.2554000     -0.4099000    
 C   0.5835000     -0.2578000      5.4099999E-02
 C   -3.394700       1.338800      0.1457000    
 C   -4.285900     -0.8863000      0.3112000    
 C    3.347400     -4.6100002E-02  1.5200000E-02
 H   -1.831800     -0.4937000       1.329100    
 H   -1.788400      -1.600800     -4.6300001E-02
 H  -0.8539000      0.1878000      -1.503000    
 H  -0.8379000       1.314200     -0.1354000    
 H   0.6958000      -1.312300     -0.2176000    
 H   0.6692000     -0.1769000       1.143100    
 H   -3.206900       1.517600       1.210600    
 H   -4.424700       1.652100     -6.5600000E-02
 H   -2.770900       2.011700     -0.4502000    
 H   -5.254300     -0.5579000     -8.2800001E-02
 H   -4.326600     -0.8477000       1.405800    
 H   -4.164100      -1.931800      6.6999998E-03
 H    4.967900      0.4927000       1.206600    
 H    3.877300       1.789700      0.8430000    
 H    2.858200      -1.710200     -0.7513000    


%chk=000003077-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003077

0 1
S 1.977811 0.864940 -0.583979
N -3.268325 0.017966 -0.214623
N 4.569024 0.762228 0.159255
N 3.493387 -1.262472 0.647421
C -1.943133 -0.457734 0.246475
C -0.776175 0.411438 -0.276043
C 0.578859 -0.243236 0.044791
C -3.641583 1.337351 0.336302
C -4.324165 -0.988929 0.022527
C 3.449356 -0.050448 0.174061
H -1.888672 -0.515166 1.367558
H -1.814116 -1.490359 -0.134049
H -0.896134 0.533883 -1.368496
H -0.808518 1.419494 0.177453
H 0.665175 -1.223468 -0.457563
H 0.718937 -0.372838 1.132584
H -3.704081 1.344709 1.455500
H -4.627939 1.633681 -0.062403
H -2.912802 2.105359 0.027647
H -5.276796 -0.636274 -0.411642
H -4.499853 -1.205060 1.107870
H -4.053588 -1.937288 -0.475301
H 5.450322 0.358333 0.471247
H 4.502506 1.758309 -0.030432
H 2.639502 -1.830017 0.536441


