%chk=000005322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005322

0 1
 S    1.221500      -1.961800     -0.3840000    
 O   0.6471000      -1.914100      -1.714900    
 O    2.027300      -3.095000      2.7899999E-02
 O   -2.904600      0.6417000      -1.962400    
 N   -3.517100      0.3158000      0.2417000    
 N  -1.9000000E-03  -1.695900      0.7745000    
 N   -1.451900     -0.5119000     -0.6491000    
 N    4.554000       2.907200      0.3537000    
 C    2.212800     -0.5146000     -0.1651000    
 C   -1.201800     -0.9892000      0.5242000    
 C   -4.775400       1.032100      6.3699998E-02
 C   -3.206500     -0.2119000       1.478400    
 C   -2.072400     -0.8763000       1.702400    
 C    3.252100     -0.5395000      0.7488000    
 C    1.930300      0.6170000     -0.9103000    
 C   -2.639200      0.1746000     -0.8535000    
 C    4.033300      0.6029000      0.9226000    
 C    2.711800       1.759300     -0.7366000    
 C    3.763300       1.752300      0.1798000    
 C   -4.582700       2.507300      0.3583000    
 H   0.1356000      -2.134300       1.694700    
 H   -5.125400      0.9076000     -0.9670000    
 H   -5.540200      0.6025000      0.7210000    
 H   -3.930100     -5.9700001E-02   2.271400    
 H   -1.806200      -1.296900       2.661700    
 H    3.473500      -1.421200       1.342100    
 H    1.114800      0.6440000      -1.626200    
 H    4.848900      0.5856000       1.641000    
 H    2.490800       2.649000      -1.320900    
 H   -4.251800       2.666300       1.390100    
 H   -3.831900       2.950400     -0.3044000    
 H   -5.523200       3.048600      0.2165000    
 H    5.315200       2.903900       1.019400    
 H    4.356800       3.741200     -0.1832000    


%chk=000005322-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005322

0 1
S 1.354418 -2.132948 -0.097108
O 0.854987 -2.506476 -1.586591
O 2.217139 -3.203608 0.777670
O -2.081063 1.495661 -1.393668
N -3.407653 0.388575 0.199067
N -0.136094 -1.984597 1.048277
N -1.112741 -0.282895 -0.206293
N 4.369525 3.100714 -0.055729
C 2.226154 -0.490545 -0.063378
C -1.238486 -1.205259 0.767515
C -4.537492 1.294787 -0.133126
C -3.513405 -0.553315 1.196110
C -2.456156 -1.381548 1.530169
C 3.335363 -0.377615 0.795829
C 1.799552 0.542045 -0.919506
C -2.152831 0.576862 -0.527836
C 4.053200 0.829850 0.796907
C 2.525903 1.742741 -0.912010
C 3.659354 1.907381 -0.055887
C -4.468497 2.621906 0.647103
H -0.163204 -2.773293 1.703472
H -4.474116 1.496983 -1.215055
H -5.480171 0.756235 0.075013
H -4.479809 -0.621033 1.705810
H -2.555806 -2.130980 2.316591
H 3.633374 -1.221438 1.426104
H 0.908135 0.417170 -1.539801
H 4.924704 0.943057 1.451760
H 2.208668 2.564602 -1.563398
H -4.507006 2.452861 1.738460
H -3.535976 3.157169 0.402199
H -5.320466 3.267362 0.367126
H 5.179351 3.228510 0.544489
H 4.097946 3.868078 -0.663987


