%chk=000006067.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006067

1 1
 S    2.502500       2.766800      0.8119000    
 O    2.920300      8.6900003E-02   1.639900    
 O  -0.3859000     -0.1242000      0.2409000    
 O   0.3898000     -0.3721000       2.396600    
 N   -4.076700     -0.3848000      2.5000000E-02
 C    2.325900      -1.160300     -0.2991000    
 C    2.317000      -2.487400      0.4530000    
 C    3.752600      -1.100300     -0.8358000    
 C    1.965100      2.6699999E-02  0.5768000    
 C    3.114600      -3.425500     -0.4469000    
 C    4.047200      -2.533400      -1.268100    
 C   -2.685100     -0.2261000     -0.4676000    
 C    1.999000       1.402400     -9.2100002E-02
 C   0.5839000     -0.1788000       1.202100    
 C   -4.415000      0.6979000       1.058700    
 C   -5.079900     -0.2716000      -1.131000    
 C   -1.726800     -0.3127000      0.7039000    
 C   -4.266300      -1.755300      0.6892000    
 C    1.666600       1.734400      -1.387100    
 C   -4.236000       2.061800      0.4285000    
 C   -4.817200      -1.378300      -2.128800    
 C    1.827500       3.127200      -1.640500    
 C    2.276600       3.806700     -0.5296000    
 H    1.631900      -1.238900      -1.147900    
 H    2.821400      -2.431500       1.423100    
 H    1.304800      -2.866500      0.6258000    
 H    3.861000     -0.4024000      -1.671800    
 H    4.472500     -0.8064000     -6.3000001E-02
 H    3.669600      -4.166000      0.1379000    
 H    2.442100      -3.973800      -1.116900    
 H    3.837700      -2.661600      -2.336400    
 H    5.099700      -2.788900      -1.107800    
 H   -2.441200      -1.048100      -1.149400    
 H   -2.571400      0.6953000      -1.047300    
 H   -5.463800      0.5506000       1.345000    
 H   -3.817500      0.5622000       1.963700    
 H   -6.092700     -0.3332000     -0.7184000    
 H   -4.940800      0.6858000      -1.638000    
 H   -1.769200      -1.291000       1.192900    
 H   -1.899300      0.4720000       1.443600    
 H   -5.338700      -1.960400      0.7676000    
 H   -3.759900      -2.524400      9.9600002E-02
 H   -3.842600      -1.725600       1.697600    
 H    2.717600     -0.6064000       2.289200    
 H    1.320700       1.020900      -2.123800    
 H   -4.914900       2.266100     -0.4015000    
 H   -4.479000       2.816400       1.187300    
 H   -3.210100       2.280200      0.1238000    
 H   -5.568700      -1.308400      -2.925100    
 H   -4.919200      -2.383500      -1.713300    
 H   -3.850600      -1.291400      -2.631100    
 H    1.623400       3.606500      -2.589000    
 H    2.482700       4.864100     -0.4415000    


%chk=000006067-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006067

1 1
S 1.294415 2.544261 -1.442504
O 2.257349 1.020255 0.845466
O -0.472380 -1.095568 -0.446408
O -0.209128 0.070101 1.549445
N -4.183055 -0.245345 0.041479
C 2.524043 -1.263314 -0.156632
C 2.594680 -2.037285 1.192090
C 4.013655 -0.985838 -0.558462
C 1.673521 0.050634 -0.081834
C 3.915933 -2.834338 1.076096
C 4.886515 -1.803178 0.443263
C -2.702671 -0.167096 -0.368967
C 1.554459 0.752318 -1.420229
C 0.259577 -0.296066 0.444965
C -4.342107 -0.547398 1.565993
C -4.866233 1.122805 -0.259197
C -1.855401 -1.409198 -0.017974
C -4.891385 -1.355305 -0.730693
C 1.562751 0.231116 -2.704624
C -3.574861 0.385009 2.509704
C -4.884615 1.548269 -1.731212
C 1.360384 1.222124 -3.733404
C 1.187043 2.502884 -3.232466
H 2.044531 -1.919315 -0.908713
H 2.678409 -1.327838 2.040195
H 1.711643 -2.679693 1.369898
H 4.194037 -1.303600 -1.600135
H 4.238972 0.092137 -0.499962
H 4.269044 -3.221049 2.047835
H 3.778110 -3.700411 0.399780
H 5.751647 -2.282369 -0.046725
H 5.282657 -1.136558 1.231600
H -2.669714 -0.004278 -1.457833
H -2.278423 0.716815 0.132246
H -5.429422 -0.504737 1.755662
H -4.019185 -1.593088 1.704875
H -5.893598 1.027625 0.134633
H -4.329110 1.868271 0.348943
H -2.125531 -2.300531 -0.603641
H -1.858249 -1.631232 1.062981
H -5.970642 -1.305877 -0.519017
H -4.716421 -1.227531 -1.808104
H -4.501644 -2.331449 -0.406720
H 1.903390 0.859744 1.759818
H 1.716012 -0.829049 -2.918499
H -3.914722 1.432623 2.457371
H -3.774490 0.041861 3.540793
H -2.481694 0.346795 2.364632
H -5.414039 2.516082 -1.785293
H -5.435267 0.849246 -2.381892
H -3.877897 1.717223 -2.146644
H 1.364552 0.993840 -4.801821
H 1.059753 3.438195 -3.775357


