%chk=000122239.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122239

0 1
 S    1.618500      -1.153100     -0.1810000    
 O    1.417300      -2.186200      0.8241000    
 O    1.834800      -1.550000      -1.564400    
 O    6.430200      0.3991000      0.1503000    
 O    4.765400       1.757300     -0.5969000    
 N    2.910800     -0.1219000      0.3200000    
 N   -4.593400      0.7712000      5.0099999E-02
 C   0.2220000     -8.6700000E-02 -0.1414000    
 C   -1.097700     -0.5628000     -7.5599998E-02
 C   -2.167100      0.3637000     -4.6900000E-02
 C   -3.486600     -0.1124000      1.9200001E-02
 C   0.4833000       1.283200     -0.1787000    
 C   -1.379300      -1.938100     -3.7000000E-02
 C   -1.885400       1.739100     -8.5199997E-02
 C  -0.5682000       2.194400     -0.1505000    
 C   -3.748100      -1.482400      5.6800000E-02
 C    4.297000     -0.5517000      4.8000002E-03
 C   -2.696400      -2.393400      2.8800000E-02
 C    2.814500      0.5012000       1.664500    
 C   -5.108200       1.249000       1.314300    
 C   -5.207000       1.212200      -1.183200    
 C    5.143700      0.6684000     -0.1919000    
 H    1.478100       1.698000     -0.2953000    
 H  -0.6207000      -2.708000     -0.1055000    
 H   -2.674300       2.486900     -7.0400000E-02
 H  -0.3652000       3.260600     -0.1948000    
 H   -4.769500      -1.851800      0.1053000    
 H    4.329400      -1.123600     -0.9269000    
 H    4.687700      -1.172300      0.8178000    
 H   -2.902100      -3.459800      4.6700001E-02
 H    1.813400      0.4076000       2.093800    
 H    3.053400       1.566700       1.598700    
 H    3.505500      2.7200000E-02   2.368800    
 H   -5.263200      0.4181000       2.011300    
 H   -4.411300       1.957800       1.773200    
 H   -6.071900       1.755500       1.195300    
 H   -5.828600      0.4145000      -1.603100    
 H   -5.843100       2.090200      -1.028800    
 H   -4.451000       1.486400      -1.927100    
 H    7.011000       1.180800      3.2699998E-02


%chk=000122239-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122239

0 1
S 1.655179 -1.322625 0.410064
O 1.454852 -2.358261 1.656940
O 1.897194 -1.919511 -1.094503
O 5.715789 1.005249 -1.555988
O 3.858750 2.131293 -0.727473
N 3.158650 -0.202550 0.772913
N -4.543450 1.046350 -0.112871
C 0.243963 -0.048395 0.353002
C -1.111215 -0.524284 0.388113
C -2.141553 0.489671 0.211700
C -3.537510 0.079645 0.162369
C 0.617524 1.284154 0.221393
C -1.485535 -1.887619 0.618595
C -1.759663 1.868796 0.146236
C -0.420129 2.262196 0.153656
C -3.858422 -1.264132 0.434631
C 4.163307 -0.303550 -0.288669
C -2.838280 -2.228090 0.670112
C 3.630092 -0.362356 2.165357
C -5.915982 0.769267 0.339079
C -4.503942 1.774793 -1.403296
C 4.514171 1.075180 -0.840602
H 1.674514 1.571524 0.195900
H -0.717352 -2.646430 0.789023
H -2.549070 2.625734 0.133035
H -0.148965 3.321612 0.112748
H -4.902706 -1.589785 0.424527
H 3.748438 -0.911189 -1.128011
H 5.092319 -0.812587 0.035590
H -3.125622 -3.267146 0.865014
H 2.768633 -0.394394 2.851564
H 4.237023 0.527938 2.413255
H 4.235903 -1.277402 2.327430
H -6.453165 0.033985 -0.304927
H -5.906758 0.389740 1.374287
H -6.492638 1.711662 0.321805
H -5.125163 1.259989 -2.170467
H -4.891524 2.803831 -1.280631
H -3.475745 1.829741 -1.789044
H 5.915787 1.892856 -1.959957


