%chk=000041142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041142

0 1
 S    5.910500      -1.479300      0.8154000    
 S    5.727700       1.940500      9.7400002E-02
 O   -3.085700     -0.5872000      -1.176200    
 O    2.973000      -2.291200      0.4611000    
 O    2.759000       2.209600     -0.6288000    
 N   -6.223700      0.2229000      0.5755000    
 N    2.387800     -8.4899999E-02 -0.1718000    
 C   -5.295100     -0.5345000     -0.2505000    
 C   -6.467500       1.547800       0.000000    
 C   -7.487900     -0.5010000      0.7307000    
 C   -3.968200      0.1971000     -0.3752000    
 C    4.569900     -0.5379000      0.3523000    
 C    4.498400      0.7629000      9.0300001E-02
 C   0.9844000     -0.2139000     -0.4288000    
 C    3.220200      -1.121200      0.2156000    
 C    3.106400       1.094100     -0.2749000    
 C    7.279900     -0.3469000      0.4253000    
 C    7.051100       1.054600      0.9772000    
 C   -1.752600     -0.4653000     -0.9304000    
 C   -7.381600       2.373000      0.8895000    
 C   -7.261500      -1.880000       1.326600    
 C   0.1273000      0.8653000     -0.2007000    
 C   0.4668000      -1.419400     -0.9090000    
 C   -1.239200      0.7398000     -0.4510000    
 C  -0.8996000      -1.544800      -1.159400    
 H   -5.703400     -0.7363000      -1.250100    
 H   -5.058400      -1.510700      0.1869000    
 H   -6.885000       1.487000      -1.012700    
 H   -5.546200       2.133500     -5.4000001E-02
 H   -8.025100     -0.5954000     -0.2214000    
 H   -8.146400      2.0000000E-02   1.433300    
 H   -4.066100       1.152800     -0.8961000    
 H   -3.564000      0.3583000      0.6332000    
 H    8.184000     -0.7687000      0.8771000    
 H    7.442000     -0.3293000     -0.6585000    
 H    7.966700       1.643200      0.8565000    
 H    6.824800       1.031100       2.049400    
 H   -8.425800       2.051200      0.8299000    
 H   -7.060400       2.349100       1.936600    
 H   -7.360900       3.420200      0.5666000    
 H   -6.847600      -2.587400      0.6013000    
 H   -8.220200      -2.298300       1.653900    
 H   -6.607600      -1.842700       2.204600    
 H   0.4873000       1.810200      0.1946000    
 H    1.103800      -2.271000      -1.127300    
 H   -1.863600       1.611500     -0.2797000    
 H   -1.293400      -2.483800      -1.539200    


%chk=000041142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041142

0 1
S 6.312445 -1.492785 0.016814
S 5.786977 2.131531 0.626307
O -3.076603 -0.922517 -0.741343
O 3.253765 -2.395068 -0.331474
O 2.594554 2.235921 0.325846
N -6.502381 0.221689 0.203974
N 2.492997 -0.134147 -0.050453
C -5.450520 -0.612919 -0.427786
C -6.816735 1.441603 -0.589741
C -7.708058 -0.547808 0.609887
C -4.063532 -0.136655 0.023869
C 4.807289 -0.522559 0.084597
C 4.615769 0.819452 0.281021
C 1.073220 -0.315562 -0.202826
C 3.474055 -1.178081 -0.126701
C 3.147336 1.117680 0.199502
C 7.550790 -0.052408 -0.064700
C 7.307041 1.045331 0.980414
C -1.718314 -0.670506 -0.510385
C -7.369422 2.595742 0.268214
C -7.472270 -1.406676 1.866478
C 0.169735 0.451648 0.567773
C 0.573093 -1.265813 -1.131540
C -1.222354 0.284803 0.411358
C -0.811882 -1.446394 -1.275444
H -5.498601 -0.592258 -1.541244
H -5.575654 -1.666870 -0.123971
H -7.530004 1.212427 -1.421852
H -5.879659 1.779648 -1.071184
H -8.082014 -1.192001 -0.225812
H -8.511554 0.178796 0.827733
H -3.926644 0.943709 -0.186598
H -3.935605 -0.307609 1.110444
H 8.523994 -0.539695 0.116628
H 7.533865 0.353186 -1.088136
H 8.143414 1.764946 0.976537
H 7.196293 0.623714 1.991418
H -8.322433 2.326976 0.758684
H -6.645687 2.863613 1.057558
H -7.557205 3.486925 -0.359407
H -6.680235 -2.161043 1.706999
H -8.396194 -1.947112 2.145354
H -7.166401 -0.765994 2.711807
H 0.546817 1.192028 1.277132
H 1.263484 -1.870727 -1.723652
H -1.899577 0.896211 1.014062
H -1.213095 -2.179772 -1.981060


