%chk=000048060.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048060

1 1
 S    3.543300     -0.2341000      0.2819000    
 N   -4.256400      0.1837000      0.2579000    
 N   0.5741000     -1.1000000E-03 -0.6404000    
 N   0.1632000      -2.366200     -0.4125000    
 C   -3.246900      0.1352000     -0.8281000    
 C   -1.855500      6.9100000E-02 -0.2109000    
 C  -0.7532000      6.4900003E-02  -1.266700    
 C   -5.678400      0.2120000     -0.3197000    
 C   -4.136500      -1.045700       1.169300    
 C   -4.068100       1.438100       1.122500    
 C    1.216000       1.216200     -0.3067000    
 C    1.020700      -1.309600     -0.3062000    
 C    2.553600       1.238000      0.1343000    
 C    2.330200      -1.520700      0.1430000    
 C   0.5491000       2.460000     -0.3762000    
 C    3.185000       2.451600      0.4645000    
 C    2.736900      -2.821700      0.4759000    
 C    1.179900       3.662400     -4.3200001E-02
 C    2.500800       3.658600      0.3752000    
 C   0.5863000      -3.605700     -8.0899999E-02
 C    1.855900      -3.885000      0.3672000    
 H   -3.364800       1.031200      -1.449000    
 H   -3.445700     -0.7482000      -1.446500    
 H   -1.672400      0.9110000      0.4602000    
 H   -1.742200     -0.8355000      0.3921000    
 H  -0.9002000     -0.7885000      -1.943900    
 H  -0.8456000      0.9254000      -1.940800    
 H   -5.770700       1.101700     -0.9494000    
 H   -5.822100     -0.6961000     -0.9124000    
 H   -6.394900      0.2493000      0.5061000    
 H   -5.019200      -1.074400       1.816300    
 H   -4.103300      -1.940900      0.5415000    
 H   -3.247700     -0.9621000       1.799400    
 H   -4.948500       1.541200       1.765200    
 H   -3.186400       1.330400       1.758300    
 H   -3.983400       2.305500      0.4615000    
 H  -0.4892000       2.543500     -0.6836000    
 H    4.221100       2.468400      0.7976000    
 H    3.749400      -3.019000      0.8223000    
 H   0.6326000       4.598200     -0.1109000    
 H    2.996600       4.588900      0.6343000    
 H  -0.1538000      -4.390900     -0.1915000    
 H    2.156900      -4.894000      0.6218000    


%chk=000048060-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048060

1 1
S 3.686634 -0.362697 -0.288980
N -4.370082 -0.041079 0.260090
N 0.606891 0.164950 -0.659543
N -0.068848 -2.020444 -0.031951
C -3.236739 0.323346 -0.745230
C -1.844052 0.455445 -0.118465
C -0.746123 0.311605 -1.218684
C -5.710757 0.075754 -0.464585
C -4.195901 -1.479037 0.749732
C -4.360276 0.913867 1.450778
C 1.398899 1.331928 -0.392186
C 0.955197 -1.124977 -0.179081
C 2.795592 1.236339 -0.138637
C 2.303888 -1.481477 0.115098
C 0.812814 2.626617 -0.375748
C 3.563962 2.382271 0.145157
C 2.573071 -2.767237 0.616593
C 1.590647 3.779246 -0.130026
C 2.969176 3.663887 0.140381
C 0.218886 -3.286646 0.401143
C 1.514673 -3.699342 0.756281
H -3.559082 1.259563 -1.235567
H -3.247611 -0.486857 -1.497252
H -1.730179 1.413161 0.417841
H -1.645906 -0.373426 0.582103
H -0.960515 -0.606287 -1.793549
H -0.749938 1.168258 -1.914708
H -5.878387 1.126430 -0.746474
H -5.687137 -0.552612 -1.368038
H -6.516295 -0.263640 0.204639
H -4.970465 -1.694191 1.501888
H -4.303506 -2.161352 -0.107059
H -3.197069 -1.600158 1.191222
H -5.236255 0.700963 2.082764
H -3.438121 0.765197 2.029096
H -4.407678 1.949528 1.080925
H -0.257191 2.752561 -0.562563
H 4.633688 2.272529 0.351654
H 3.600942 -3.050381 0.864542
H 1.111810 4.763735 -0.142861
H 3.577203 4.550574 0.341539
H -0.629473 -3.976946 0.458717
H 1.700112 -4.713870 1.117804


