%chk=000091638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091638

0 1
 S  -3.7999999E-02   1.430100      -1.362200    
 O   -1.221500      0.9896000       2.527900    
 O  -8.6300001E-02  -1.269100       1.771200    
 O   -6.062000     -0.9821000     -0.6219000    
 N    1.708100     -0.2025000      0.7496000    
 N    3.855100      -3.066300     -0.3384000    
 C   -1.046800       1.543700      0.1657000    
 C  -0.3102000       1.092600       1.436900    
 C    2.550000      -1.392300      0.8759000    
 C   0.4217000     -0.2414000       1.311800    
 C    2.297600      0.9617000      0.1503000    
 C   -2.394500      0.8648000     -4.6200000E-02
 C    1.588200       1.812200     -0.7237000    
 C    2.995400      -1.899300     -0.4879000    
 C    3.647000       1.258800      0.4221000    
 C    2.223300       2.942000      -1.267500    
 C   -3.561700       1.624300     -3.9299998E-02
 C   -2.453100     -0.5123000     -0.2456000    
 C    4.263000       2.389100     -0.1174000    
 C    3.549000       3.234900     -0.9558000    
 C   -4.795400       1.002900     -0.2330000    
 C   -3.686800      -1.133800     -0.4395000    
 C    4.318600      -3.536900      -1.645200    
 C    3.151100      -4.139600      0.3663000    
 C   -4.858000     -0.3762000     -0.4332000    
 C   -6.053900      -2.394900     -0.8208000    
 H   -1.245800       2.615800      0.2974000    
 H   0.4097000       1.859000       1.745200    
 H    3.394900      -1.181700       1.540300    
 H    1.965900      -2.157200       1.393800    
 H    2.114500      -2.127700      -1.103900    
 H    3.553500      -1.121400      -1.020700    
 H    4.245200      0.6494000       1.092900    
 H    1.697600       3.599200      -1.957400    
 H   -3.530100       2.699300      0.1158000    
 H   -1.558900      -1.124100     -0.2898000    
 H   -1.815400      0.2373000       2.368500    
 H    5.299500       2.608400      0.1221000    
 H    4.027200       4.111900      -1.381500    
 H   -5.704300       1.598200     -0.2268000    
 H   -3.662700      -2.206800     -0.5964000    
 H    4.872600      -2.747200      -2.165100    
 H    3.489700      -3.857400      -2.286800    
 H    5.011300      -4.378000      -1.529000    
 H    3.045100      -3.927000       1.434500    
 H    3.733800      -5.068300      0.3249000    
 H    2.165300      -4.349700     -6.4400002E-02
 H   -5.669700      -2.922900      5.8600001E-02
 H   -5.518900      -2.669200      -1.736300    
 H   -7.094600      -2.708700     -0.9526000    


%chk=000091638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091638

0 1
S 0.219620 1.459170 -1.401323
O -1.096757 1.326492 2.568586
O 0.095347 -1.002487 1.888117
O -5.808280 -1.356927 -0.647873
N 1.915652 0.069301 0.896236
N 3.204147 -3.263522 -0.428264
C -0.960982 1.656696 0.121939
C -0.174331 1.372274 1.447540
C 2.669850 -1.215778 0.884526
C 0.623632 0.052770 1.405215
C 2.511018 1.238410 0.301150
C -2.196790 0.810552 -0.110246
C 1.835500 1.992917 -0.702446
C 2.471868 -1.978267 -0.448757
C 3.807654 1.639623 0.714080
C 2.468501 3.125430 -1.269145
C -3.477118 1.418438 0.001725
C -2.137088 -0.571747 -0.415691
C 4.436156 2.758350 0.130205
C 3.767540 3.504975 -0.867592
C -4.656882 0.676285 -0.178991
C -3.311107 -1.332228 -0.602173
C 3.624203 -3.716505 -1.770102
C 2.486658 -4.324935 0.310007
C -4.576991 -0.705926 -0.481907
C -5.781455 -2.790246 -0.949404
H -1.251611 2.720417 0.144975
H 0.501325 2.223386 1.638183
H 3.744174 -1.017892 1.026247
H 2.303175 -1.817643 1.731457
H 1.377856 -2.113051 -0.633704
H 2.867496 -1.358403 -1.274385
H 4.313460 1.078985 1.507196
H 1.932474 3.697617 -2.032950
H -3.546442 2.485155 0.243870
H -1.164555 -1.063264 -0.516961
H -1.381467 0.372506 2.656440
H 5.436897 3.053061 0.463355
H 4.247154 4.378138 -1.321898
H -5.643848 1.140020 -0.091171
H -3.227624 -2.397264 -0.837391
H 4.229595 -2.932159 -2.257660
H 2.767832 -3.966056 -2.446606
H 4.252571 -4.620580 -1.673715
H 2.225988 -3.982278 1.325284
H 3.137281 -5.212293 0.408161
H 1.539365 -4.640120 -0.196315
H -5.292810 -3.363127 -0.137447
H -5.264833 -2.990684 -1.908295
H -6.837717 -3.086389 -1.028681


