%chk=000089142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089142

0 1
 S   -2.923000       1.092300      -1.702500    
 S   -5.191300       1.319400      0.9659000    
 P    2.080600     -0.3607000     -0.5529000    
 P   -3.470200      0.6506000      0.3022000    
 O    2.400400       1.150200     -3.7200000E-02
 O    1.374300      -1.025600      0.7550000    
 O    3.338100      -1.103400     -0.9297000    
 O   -2.224100       1.112600       1.254800    
 O   -3.316600     -0.9658000      0.4973000    
 N   0.9214000     -0.2289000      -1.744600    
 C  -0.2251000      0.6372000      -1.459900    
 C    3.618400       1.395500      0.6456000    
 C   0.7864000      -2.313600      0.6737000    
 C   -1.492000      2.8200001E-02  -2.047600    
 C    1.391600      3.2800000E-02  -3.106500    
 C    3.499500      0.8952000       2.077100    
 C    3.933200       2.882500      0.5892000    
 C    1.877100      -3.369000      0.7726000    
 C  -0.2484000      -2.462500       1.778700    
 C   -1.923700       2.487800       1.425700    
 C   -4.206700      -1.854700     -0.1571000    
 H  -0.3445000      0.7036000     -0.3744000    
 H  -5.0000001E-02   1.660900      -1.814800    
 H    4.434300      0.8659000      0.1420000    
 H   0.2723000      -2.418400     -0.2877000    
 H   -1.429600     -6.4900003E-02  -3.135100    
 H   -1.676500     -0.9715000      -1.642400    
 H    2.165400     -0.6941000      -3.375400    
 H    1.832100       1.032400      -3.187500    
 H   0.6031000     -6.9100000E-02  -3.857000    
 H    2.609600       1.307400       2.565000    
 H    4.381200       1.167100       2.666000    
 H    3.404700     -0.1945000       2.105700    
 H    4.000200       3.218400     -0.4512000    
 H    4.877900       3.110600       1.092000    
 H    3.134900       3.468500       1.057800    
 H    2.535300      -3.342400     -9.9799998E-02
 H    1.449000      -4.374800      0.8329000    
 H    2.506500      -3.201500       1.653400    
 H  -0.9909000      -1.661300       1.716000    
 H  -0.7628000      -3.426100       1.717600    
 H   0.2203000      -2.376500       2.765300    
 H   -2.037400       3.035100      0.4870000    
 H   -2.580000       2.915800       2.187300    
 H  -0.8876000       2.577100       1.762200    
 H   -5.124200      -1.951600      0.4285000    
 H   -4.445100      -1.504400      -1.164000    
 H   -3.728100      -2.834600     -0.2281000    


%chk=000089142-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089142

0 1
S -2.938681 1.311796 -1.716923
S -5.158100 1.595535 1.180866
P 2.257521 -0.290885 -0.759410
P -3.603138 0.539239 0.338149
O 2.610704 1.306320 -0.203745
O 1.442980 -0.882001 0.654790
O 3.485099 -1.153735 -1.299632
O -2.127788 0.333489 1.227097
O -3.779703 -1.174400 0.091988
N 1.027169 -0.025451 -1.949271
C -0.137044 0.826164 -1.625959
C 3.652865 1.505023 0.867990
C 0.972379 -2.320355 0.676245
C -1.461304 0.134858 -2.002118
C 1.374221 -0.204269 -3.374577
C 2.942544 1.664528 2.218938
C 4.450473 2.739166 0.436144
C 2.161955 -3.258207 0.929704
C -0.097562 -2.361967 1.769412
C -1.607365 1.490673 1.990090
C -5.060156 -1.635683 -0.489222
H -0.137128 1.032787 -0.543846
H -0.055150 1.798805 -2.155111
H 4.309625 0.611420 0.876142
H 0.519275 -2.533983 -0.314659
H -1.518067 -0.120322 -3.073388
H -1.632417 -0.775798 -1.405294
H 2.344946 -0.722788 -3.446448
H 1.452870 0.774288 -3.891067
H 0.615507 -0.821282 -3.890024
H 2.293097 2.558670 2.203484
H 3.685415 1.788591 3.028950
H 2.324817 0.775791 2.431006
H 4.939418 2.566153 -0.537029
H 5.227089 2.973785 1.187332
H 3.779676 3.611613 0.342564
H 2.929653 -3.146287 0.145074
H 1.813810 -4.308215 0.939293
H 2.620568 -3.036405 1.909901
H -0.909987 -1.646625 1.558964
H -0.526341 -3.379256 1.834162
H 0.352522 -2.115434 2.748368
H -1.415621 2.354348 1.326473
H -2.315827 1.775622 2.787332
H -0.660878 1.125290 2.414832
H -5.908912 -1.330296 0.148533
H -5.193987 -1.241564 -1.513749
H -4.971045 -2.731546 -0.511251


