%chk=000055257.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055257

0 1
 S    3.675500      -1.000700       1.269000    
 O   5.9000002E-03  0.8271000      -2.325300    
 O   -4.396200     -0.8764000     -0.4797000    
 N    1.210900      0.1118000     -0.4506000    
 N   -2.270200      0.8394000     -0.9859000    
 N   -3.388800       1.202800     -0.2467000    
 N   -6.779100      0.2067000      0.3825000    
 C    1.329400      -1.311400     -0.2299000    
 C    2.276100       1.016900     -8.6900003E-02
 C    2.363800      -1.902700      0.5069000    
 C    3.416000      0.6261000      0.6303000    
 C   7.9400003E-02  0.6147000      -1.114600    
 C   -1.069000      0.9691000     -0.1936000    
 C   0.3814000      -2.183600     -0.8159000    
 C    2.173900       2.387300     -0.4240000    
 C    2.408400      -3.301700      0.6788000    
 C    4.422400       1.564000      0.9409000    
 C   0.4337000      -3.569300     -0.6449000    
 C    3.174800       3.311700     -0.1112000    
 C    1.447200      -4.130300      0.1109000    
 C    4.307500       2.897300      0.5656000    
 C   -5.532400      0.8444000      0.7970000    
 C   -4.400000      0.2748000     -4.7699999E-02
 C   -5.270600      0.5819000       2.274800    
 H  -0.9219000       1.993600      0.1657000    
 H   -1.084800      0.2901000      0.6659000    
 H  -0.4358000      -1.800900      -1.423400    
 H    1.310600       2.774100     -0.9607000    
 H    3.204700      -3.765700       1.258700    
 H    5.310600       1.264100       1.495200    
 H  -0.3197000      -4.201700      -1.105000    
 H    3.061500       4.352100     -0.4012000    
 H    1.497900      -5.205300      0.2517000    
 H    5.090400       3.606500      0.8142000    
 H   -2.232800       1.477300      -1.780900    
 H   -5.620800       1.922800      0.6254000    
 H   -3.433600       2.148200      0.1214000    
 H   -5.159800     -0.4890000       2.480900    
 H   -6.087600      0.9669000       2.894500    
 H   -4.344700       1.071600       2.596400    
 H   -6.723300     -0.8008000      0.5265000    
 H   -6.927900      0.3511000     -0.6153000    


%chk=000055257-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055257

0 1
S 3.253477 -0.329987 1.969622
O 0.385578 3.140748 -0.162873
O -3.417036 -0.901344 -0.820284
N 1.178514 0.953311 0.161658
N -2.145056 1.588703 -0.265134
N -3.470210 1.265783 0.087538
N -6.359007 -0.767311 -0.693252
C 0.908808 -0.449917 0.418971
C 2.537646 1.296082 -0.221583
C 1.804719 -1.185511 1.234726
C 3.610805 0.758456 0.532284
C 0.194963 1.953992 0.243379
C -1.168560 1.605146 0.855357
C -0.197577 -1.105204 -0.173799
C 2.814743 2.130929 -1.329621
C 1.579433 -2.554428 1.491934
C 4.947528 1.065322 0.200801
C -0.440536 -2.466231 0.110143
C 4.150902 2.451629 -1.650691
C 0.444728 -3.192191 0.940652
C 5.217593 1.926273 -0.885683
C -5.475689 -0.174424 0.328426
C -4.022984 0.016223 -0.197975
C -5.437808 -1.087100 1.575693
H -1.378325 2.400907 1.605888
H -1.186446 0.626451 1.355557
H -0.897793 -0.552846 -0.810755
H 1.988182 2.542282 -1.910878
H 2.288029 -3.113332 2.111783
H 5.764949 0.628651 0.783586
H -1.323577 -2.942253 -0.326578
H 4.356616 3.110368 -2.500753
H 0.264211 -4.252062 1.149477
H 6.254145 2.172728 -1.138756
H -2.088899 2.427122 -0.858980
H -5.903451 0.807441 0.614849
H -4.020549 1.922305 0.659666
H -5.004943 -2.068991 1.311111
H -6.465633 -1.241151 1.943900
H -4.824050 -0.648759 2.383620
H -5.986661 -1.665180 -1.030356
H -6.547778 -0.137730 -1.482870


