%chk=000071449.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071449

0 1
 S   -4.338300      -2.414700      0.3455000    
 S   -1.085000       4.042500      -1.193800    
 O   -5.537800      -1.370800      0.7086000    
 O   -4.100800      -3.270500       1.493500    
 O   -4.583600      -2.965800     -0.9747000    
 O    4.765700       1.951800       1.245900    
 O    3.892900     -3.1999999E-03  0.7605000    
 O    2.164900      -4.462100     -0.4128000    
 O    3.314100      -2.477900     -0.5034000    
 N    1.630300     -0.2568000     -0.2403000    
 N  -0.6410000     -0.8725000     -1.3100000E-02
 N   0.9896000      -2.547400     -0.2370000    
 N    3.829100       1.247900      0.8010000    
 C    1.582300       1.153400     -0.1828000    
 C   -3.031700      -1.232400      0.2335000    
 C   0.3707000       3.203100     -0.6001000    
 C   -1.675300      -1.889800      6.7199998E-02
 C    2.652000       1.891400      0.3259000    
 C   0.4415000       1.810700     -0.6458000    
 C   -2.372500       3.358400     -0.1126000    
 C   0.6065000      -1.189000     -0.1636000    
 C    1.440600       3.939400     -9.1200002E-02
 C   -3.732200       3.955900     -0.4569000    
 C    2.581300       3.283500      0.3716000    
 C   -4.822900       3.388000      0.4396000    
 C    2.262300      -3.098800     -0.3955000    
 C    3.397400      -5.174400     -0.5693000    
 H   -3.251800     -0.5685000     -0.6091000    
 H   -3.047400     -0.6355000       1.152100    
 H   -1.686300      -2.499900     -0.8443000    
 H   -1.492500      -2.552500      0.9216000    
 H  -0.3790000       1.261100      -1.096600    
 H    2.571200     -0.6277000     -0.3057000    
 H   -2.114500       3.578900      0.9288000    
 H   -2.409200       2.270400     -0.2298000    
 H   -3.989600       3.742700      -1.501500    
 H   -3.711600       5.046100     -0.3388000    
 H    1.403300       5.025200     -4.7899999E-02
 H    3.392900       3.893600      0.7598000    
 H   -4.620600       3.610200       1.492300    
 H   -5.792300       3.824900      0.1803000    
 H   -4.898400       2.301700      0.3257000    
 H   0.2525000      -3.241500     -0.1703000    
 H   -5.503200     -0.9826000       1.614400    
 H    3.864600      -4.916600      -1.524400    
 H    3.174000      -6.244500     -0.5653000    
 H    4.070800      -4.952900      0.2641000    


%chk=000071449-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071449

0 1
S -4.496502 -2.021638 -0.251946
S -1.099169 4.307487 0.018603
O -5.653228 -0.645949 -0.765181
O -4.861335 -2.517528 1.244791
O -4.363282 -3.113880 -1.438889
O 5.263289 2.162911 -0.466438
O 4.343870 0.087535 -0.288581
O 2.044658 -4.456316 0.063252
O 3.356785 -2.505763 0.011640
N 1.730991 -0.199485 -0.116689
N -0.608330 -0.695749 -0.102820
N 0.988824 -2.465504 -0.035753
N 4.233193 1.391870 -0.341600
C 1.688835 1.209865 -0.146237
C -2.976056 -0.861596 -0.242180
C 0.435627 3.340403 -0.090994
C -1.691730 -1.689056 -0.094568
C 2.903645 1.984579 -0.254493
C 0.464975 1.932307 -0.069529
C -2.425611 2.985718 0.314585
C 0.651331 -1.080309 -0.084806
C 1.642896 4.088318 -0.205086
C -3.782528 3.680587 0.523978
C 2.854906 3.403742 -0.285029
C -4.896670 2.656443 0.841252
C 2.244067 -3.076597 0.012547
C 3.285601 -5.267418 0.113043
H -3.032939 -0.335652 -1.206263
H -3.161679 -0.187218 0.605885
H -1.632788 -2.412055 -0.939885
H -1.731253 -2.271533 0.853788
H -0.441372 1.330934 -0.003821
H 2.701385 -0.597689 -0.134588
H -2.128943 2.408567 1.208169
H -2.449417 2.318839 -0.564675
H -4.049221 4.255063 -0.383738
H -3.700882 4.408519 1.353853
H 1.623137 5.182125 -0.223297
H 3.803769 3.939048 -0.370197
H -4.674718 2.100069 1.771764
H -5.863330 3.171378 0.985645
H -5.029005 1.920198 0.026872
H 0.205015 -3.121157 -0.024787
H -6.583958 -1.010378 -0.787026
H 3.903214 -5.070282 -0.778470
H 2.935201 -6.308125 0.132604
H 3.861732 -5.023128 1.020597


