%chk=000127251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127251

0 1
 S   0.1109000     -0.9413000      0.4388000    
 P    4.456100      -1.766600     -0.7784000    
 O    4.737800     -0.4079000      9.0200000E-02
 O    2.867900      -1.986500     -0.4570000    
 O    4.598700      -1.450800      -2.252300    
 O    5.250100      -2.897400     -0.1593000    
 O   -1.894600      -2.589500      0.9014000    
 N    3.609300       3.105100      0.2744000    
 C    4.171900       1.821900      0.7657000    
 C    4.500400       3.706800     -0.8206000    
 C    2.207000       2.895200     -0.3129000    
 C    3.501200       4.125000       1.416000    
 C    4.234600      0.8317000     -0.3804000    
 C   -6.449500     -0.2021000     -3.8199998E-02
 C   -4.999800      0.2739000     -0.1525000    
 C   -7.430100      0.8986000     -0.4463000    
 C   -4.020900     -0.8186000      0.2886000    
 C   -8.879000      0.4344000     -0.2999000    
 C   -2.563400     -0.3609000      0.2118000    
 C   -9.857400       1.536700     -0.6730000    
 C   -1.575400      -1.452900      0.5761000    
 C    2.467500      -2.297300      0.8711000    
 C   0.9568000      -2.457400      0.9366000    
 H    5.168300       2.005900       1.185500    
 H    3.536600       1.443300       1.575900    
 H    5.529600       3.735500     -0.4511000    
 H    4.421400       3.113800      -1.734700    
 H    4.145600       4.721800      -1.026700    
 H    1.614400       2.318700      0.4032000    
 H    1.753900       3.879900     -0.4669000    
 H    2.275400       2.389900      -1.279200    
 H    2.840800       3.708200       2.182100    
 H    4.504400       4.289300       1.820200    
 H    3.089300       5.057400       1.018900    
 H    4.913100       1.154000      -1.173500    
 H    3.252900      0.6354000     -0.8158000    
 H   -6.653400     -0.5096000      0.9947000    
 H   -6.599300      -1.083400     -0.6736000    
 H   -4.854800       1.165600      0.4693000    
 H   -4.786400      0.5627000      -1.188600    
 H   -7.265300       1.785800      0.1773000    
 H   -7.240600       1.194400      -1.485300    
 H   -4.249600      -1.127100       1.316500    
 H   -4.159300      -1.706300     -0.3415000    
 H   -9.068200      0.1227000      0.7339000    
 H   -9.056800     -0.4379000     -0.9397000    
 H   -2.345500     -2.6699999E-02 -0.8098000    
 H   -2.413300      0.4850000      0.8930000    
 H   -9.715900       1.851500      -1.711900    
 H   -9.727800       2.411500     -2.7799999E-02
 H   -10.88720       1.182800     -0.5626000    
 H    2.808000      -1.509100       1.551400    
 H    2.944300      -3.236000       1.172100    
 H   0.6484000      -3.258200      0.2559000    
 H   0.6571000      -2.728000       1.953900    


%chk=000127251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127251

0 1
S 0.293449 -1.068178 -1.173545
P 4.778326 -1.025526 0.860306
O 4.141827 0.099698 2.146078
O 3.215840 -1.217665 -0.041020
O 5.672380 -0.104151 -0.117326
O 5.167056 -2.404354 1.554161
O -1.600618 -2.876762 -0.327466
N 2.921364 2.486821 -0.437089
C 2.756221 1.739268 0.918500
C 3.686534 3.785380 -0.242574
C 3.645379 1.609255 -1.469055
C 1.523753 2.797543 -0.959818
C 4.063707 1.490798 1.725109
C -5.882119 0.336659 0.643190
C -4.804784 0.209949 -0.457525
C -7.097109 1.188800 0.211746
C -3.606874 -0.665145 -0.027791
C -8.169311 1.326549 1.316736
C -2.519187 -0.744634 -1.127970
C -9.384112 2.170825 0.874737
C -1.410806 -1.732124 -0.790338
C 2.321682 -2.293299 0.408124
C 1.351786 -2.584991 -0.728027
H 2.025550 2.339703 1.490056
H 2.322741 0.757238 0.659042
H 3.220003 4.363711 0.570842
H 4.730068 3.552991 0.011166
H 3.657693 4.362422 -1.180332
H 2.999088 0.748119 -1.697391
H 3.826254 2.223967 -2.366637
H 4.585833 1.196005 -1.041930
H 0.956749 1.854635 -1.009947
H 1.025826 3.505671 -0.277920
H 1.606893 3.236633 -1.966630
H 4.055418 2.082224 2.656632
H 4.966121 1.752198 1.134758
H -5.426859 0.780564 1.553175
H -6.230266 -0.676309 0.933114
H -4.446943 1.223339 -0.737370
H -5.264506 -0.221337 -1.371306
H -6.750328 2.200051 -0.088777
H -7.560238 0.738474 -0.691169
H -3.160775 -0.259624 0.902168
H -3.951180 -1.689401 0.207667
H -7.708256 1.781509 2.217152
H -8.510985 0.316028 1.620128
H -2.986206 -1.097896 -2.071054
H -2.090488 0.253144 -1.337527
H -9.884393 1.716749 -0.001518
H -9.073607 3.193960 0.589538
H -10.133130 2.258096 1.683041
H 1.783529 -1.992201 1.329422
H 2.916471 -3.201201 0.635613
H 1.891554 -2.860700 -1.646505
H 0.624183 -3.370576 -0.451642


