%chk=000025668.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025668

0 1
 S   -2.904600       3.225800      0.2844000    
 O    6.963200     -8.3300002E-02   1.302900    
 O    3.240200       1.547900      -1.909800    
 N    4.534400     -0.1601000     -0.1791000    
 N   -2.087000      0.2370000      0.5375000    
 N   -1.155500      -4.464300     -0.6746000    
 C   -1.664100      -1.063700       1.072400    
 C    4.957500       1.048900      0.5411000    
 C    5.064200      -1.356200      0.4903000    
 C   -1.072700       1.115400      7.9200000E-02
 C    3.077600     -0.2227000     -0.2770000    
 C   -1.612300      -2.113500     -3.7000000E-02
 C   -3.480100      0.4890000      0.4597000    
 C    6.479800       1.085900      0.6407000    
 C    6.583900      -1.262600      0.5923000    
 C   -1.328100       2.489500     -9.8800004E-02
 C    1.216900       1.519500     -0.7161000    
 C   0.2206000      0.6558000     -0.2529000    
 C   -1.233700      -3.521100      0.4342000    
 C    2.539600       1.003100      -1.031700    
 C   -3.974100       1.801100      0.3194000    
 C  -0.3204000       3.354900     -0.5606000    
 C   0.9470000       2.871200     -0.8669000    
 C   -4.431200     -0.5546000      0.4822000    
 C   -5.356500       2.044700      0.2354000    
 C   -5.803800     -0.3073000      0.3932000    
 C   -6.267000      0.9941000      0.2732000    
 C  -0.6736000      -5.766800     -0.2108000    
 C   -2.460500      -4.607800      -1.322600    
 H  -0.6932000     -0.9931000       1.580400    
 H   -2.339200      -1.392900       1.873900    
 H    4.642000       1.970900      4.4399999E-02
 H    4.530600       1.053200       1.553000    
 H    4.636800      -1.450000       1.497200    
 H    4.800400      -2.256800     -7.5700000E-02
 H    2.771800      -1.108300     -0.8464000    
 H    2.631000     -0.2705000      0.7233000    
 H  -0.9011000      -1.815100     -0.8154000    
 H   -2.571400      -2.140200     -0.5556000    
 H    6.948700       1.168200     -0.3475000    
 H    6.793900       1.953700       1.229600    
 H    6.974100      -2.123500       1.144300    
 H    7.056500      -1.261400     -0.3975000    
 H   -1.949900      -3.859300       1.194600    
 H  -0.2542000      -3.455300      0.9253000    
 H   0.4741000     -0.3934000     -0.1578000    
 H  -0.5133000       4.418600     -0.6855000    
 H    1.707100       3.564100      -1.217100    
 H   -4.156100      -1.596000      0.6068000    
 H   -5.739300       3.058800      0.1395000    
 H   -6.507000      -1.134500      0.4265000    
 H   -7.332400       1.192000      0.2078000    
 H   0.3185000      -5.670700      0.2446000    
 H   -1.349000      -6.219500      0.5242000    
 H  -0.5640000      -6.459600      -1.052600    
 H   -2.432100      -5.418700      -2.060800    
 H   -3.260000      -4.836700     -0.6088000    
 H   -2.733000      -3.716100      -1.894900    


%chk=000025668-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025668

0 1
S -3.367605 3.435994 0.298353
O 6.777989 -1.512113 0.311214
O 3.343392 2.400964 -0.524000
N 4.196119 -0.294838 -0.226203
N -2.393486 0.459236 0.603978
N -0.264758 -4.082651 -0.083324
C -1.961753 -0.841077 1.168567
C 5.129515 0.296741 0.768627
C 4.389281 -1.764998 -0.316140
C -1.383469 1.407314 0.257948
C 2.791644 0.062501 -0.012587
C -1.557408 -1.928943 0.136527
C -3.765015 0.621725 0.239446
C 6.577151 -0.053049 0.393392
C 5.850320 -2.075839 -0.681454
C -1.688944 2.781336 0.021618
C 1.007910 1.952640 -0.147987
C -0.019691 1.023529 0.165836
C -0.977631 -3.171769 0.843939
C 2.450697 1.546645 -0.252563
C -4.331431 1.905804 -0.003849
C -0.678864 3.703931 -0.325827
C 0.666666 3.303789 -0.403472
C -4.633200 -0.500727 0.118184
C -5.678220 2.057497 -0.385908
C -5.993985 -0.346373 -0.224062
C -6.526175 0.931625 -0.490284
C 0.492581 -5.120094 0.650587
C -1.147348 -4.677821 -1.109547
H -1.107675 -0.641481 1.843122
H -2.778770 -1.217132 1.811524
H 5.005365 1.391981 0.760116
H 4.912404 -0.086561 1.799072
H 4.140929 -2.275337 0.650383
H 3.720645 -2.172463 -1.098775
H 2.173278 -0.539525 -0.708463
H 2.431791 -0.198227 1.022199
H -0.791940 -1.542083 -0.560021
H -2.430282 -2.200424 -0.483298
H 6.825264 0.413991 -0.583208
H 7.282610 0.297451 1.164571
H 6.037543 -3.162738 -0.680404
H 6.074540 -1.657222 -1.686241
H -1.795802 -3.702815 1.402549
H -0.240147 -2.839967 1.602923
H 0.251366 -0.017171 0.340656
H -0.956283 4.746137 -0.516484
H 1.462127 4.010207 -0.657374
H -4.251933 -1.510062 0.285521
H -6.067524 3.062692 -0.581150
H -6.630077 -1.235284 -0.294543
H -7.576394 1.057639 -0.770491
H 1.199054 -4.640468 1.351722
H -0.160199 -5.815317 1.237669
H 1.078160 -5.725725 -0.063607
H -0.551437 -5.336904 -1.765195
H -1.980648 -5.286412 -0.672169
H -1.590244 -3.890056 -1.741611


