%chk=000056623.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056623

0 1
 S    4.895900      0.4238000      0.2505000    
 S    2.463800      -1.267700      0.4703000    
 O    5.094600      0.5095000       1.693800    
 O    5.666400     -0.5485000     -0.5197000    
 N  -0.1368000      -1.386900     -0.1190000    
 N   -1.549600      0.4693000     -5.0299998E-02
 N   -2.542200      -1.518000      2.3000000E-02
 N    1.106900      0.5339000     -0.7456000    
 N    2.397200       1.028200     -0.6658000    
 C   -1.390800     -0.8886000     -4.9100000E-02
 C   -2.892900      0.7338000      2.6300000E-02
 C   -3.491000     -0.5225000      7.0900001E-02
 C    1.048000     -0.6273000     -0.1941000    
 C   1.1900000E-02  -2.860600     -0.2393000    
 C   -3.614300       1.927700      5.9300002E-02
 C    3.204600      0.1875000     -5.5100001E-02
 C   -4.890900     -0.6121000      0.1535000    
 C   -5.006400       1.819900      0.1417000    
 C   -5.635400      0.5736000      0.1881000    
 C    5.261100       2.025100     -0.4393000    
 H  -0.8184000       1.166000     -9.6199997E-02
 H   0.7740000      -3.128800     -0.9807000    
 H  -0.9163000      -3.336700     -0.5775000    
 H   0.2712000      -3.297900      0.7313000    
 H   -3.123700       2.893800      2.3100000E-02
 H   -5.388900      -1.575700      0.1902000    
 H   -5.609700       2.724000      0.1700000    
 H   -6.719400      0.5220000      0.2521000    
 H    4.651700       2.776600      6.6399999E-02
 H    6.320400       2.231600     -0.2717000    
 H    5.050600       2.007000      -1.510400    


%chk=000056623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056623

0 1
S 5.211538 0.386601 -0.171541
S 2.665552 -1.653637 -0.024065
O 5.838011 -0.110540 1.247093
O 5.786748 -0.205692 -1.575220
N -0.139519 -1.491021 0.010377
N -1.543753 0.532289 -0.069994
N -2.564936 -1.519655 0.052700
N 1.120805 0.564992 -0.118201
N 2.442229 1.017514 -0.161837
C -1.401435 -0.849323 -0.001699
C -2.923456 0.791169 -0.059959
C -3.547943 -0.504341 0.017201
C 1.035984 -0.790322 -0.045471
C -0.124181 -2.973454 0.089046
C -3.667685 1.986307 -0.109220
C 3.328650 0.043820 -0.123494
C -4.956600 -0.610304 0.046555
C -5.073560 1.858571 -0.078675
C -5.706684 0.582919 -0.002176
C 5.230031 2.301239 -0.236117
H -0.727042 1.160892 -0.116988
H 0.375499 -3.397115 -0.800018
H -1.172071 -3.305386 0.119783
H 0.398231 -3.300893 1.005290
H -3.188707 2.968661 -0.168135
H -5.438032 -1.590803 0.105428
H -5.693556 2.760933 -0.114637
H -6.800629 0.532788 0.019038
H 4.731703 2.653136 0.675904
H 6.300345 2.549911 -0.265048
H 4.696063 2.592742 -1.149220


