%chk=000226872.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226872

0 1
 S   7.4800000E-02  -2.279700      1.2700000E-02
 S    3.099600      -2.066800     -3.5000001E-03
 N    1.520400     -2.7600000E-02  9.6000005E-03
 N   -4.075100     -1.4500000E-02  -1.197900    
 C   -2.597100      -1.489000      2.9200001E-02
 C   -1.162600     -0.9564000      2.2500001E-02
 C   -3.660100     -0.4175000      1.5600000E-02
 C    3.823500     -0.5019000     -4.1999999E-03
 C    2.816200      0.4678000      3.5999999E-03
 C    1.551400      -1.339800      6.5000001E-03
 C   -4.126000      6.7800000E-02   1.217700    
 C    5.184700     -0.1571000     -1.1200000E-02
 C    3.187100       1.830000      4.3000001E-03
 C    5.524500       1.198200     -1.0200000E-02
 C    4.540300       2.180400     -2.4999999E-03
 C   -5.104900       1.054100       1.170800    
 C   -5.027200      0.9453000      -1.203900    
 C   -5.569600       1.506600     -5.9200000E-02
 H   -2.755200      -2.138600      0.9005000    
 H   -2.753000      -2.128100     -0.8507000    
 H   -1.015800     -0.3245000     -0.8613000    
 H   -1.005300     -0.3281000      0.9070000    
 H   -3.754000     -0.2919000       2.170500    
 H    5.958500     -0.9185000     -1.7200001E-02
 H    2.426400       2.605500      1.0300000E-02
 H    6.572400       1.486600     -1.5600000E-02
 H    4.823600       3.229400     -1.9000000E-03
 H   -5.504600       1.469800       2.090900    
 H   -5.355300       1.263900      -2.187800    
 H   -6.331900       2.274800     -0.1198000    


%chk=000226872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226872

0 1
S 0.062162 -2.281059 0.026443
S 3.191627 -2.156558 -0.038468
N 1.601773 0.033666 -0.008611
N -3.872338 0.155189 -1.077103
C -2.633057 -1.529669 0.205407
C -1.240351 -0.890223 0.035574
C -3.710411 -0.457619 0.139451
C 3.945991 -0.502462 -0.051826
C 2.929990 0.509987 -0.033930
C 1.548746 -1.278701 -0.006847
C -4.491856 -0.105581 1.268756
C 5.314260 -0.174506 -0.077045
C 3.303904 1.873951 -0.042461
C 5.669473 1.194549 -0.084456
C 4.673378 2.206807 -0.067527
C -5.471932 0.905025 1.141561
C -4.819293 1.129921 -1.185009
C -5.642384 1.538718 -0.109867
H -2.693117 -2.072971 1.165368
H -2.806017 -2.254142 -0.612368
H -1.161270 -0.351479 -0.920083
H -0.979657 -0.210646 0.861624
H -4.333586 -0.616617 2.224187
H 6.087300 -0.948722 -0.091011
H 2.524598 2.641608 -0.030489
H 6.728458 1.473325 -0.104211
H 4.974100 3.259900 -0.074671
H -6.088601 1.190837 2.000419
H -4.916779 1.592111 -2.174362
H -6.389412 2.325562 -0.253645


