%chk=000053025.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053025

0 1
 S  -0.8739000       1.123200      -2.236000    
 S   -4.473900      -1.456600     -0.3751000    
 S    3.624900      -1.013100       1.031100    
 S    5.165700      0.7941000     -0.1054000    
 O   0.9953000       4.098300     -0.3073000    
 O  -0.1596000       2.470400       2.156300    
 O   -3.330800       2.495800       2.236600    
 O    2.634500       1.972700       1.386100    
 O   -3.322000      0.2089000       2.232500    
 O    6.350300      -4.153700     -0.2476000    
 O    7.303100     -0.4671000      -1.519400    
 O    5.109600      -3.442900       1.514700    
 N   -1.399200       2.053900      0.1943000    
 N    1.465600       1.726400     -0.5937000    
 N   -6.606400      -3.205300     -0.1527000    
 N   -7.226500      -1.161500     -0.5287000    
 N   -7.945400      -3.245400     -0.1948000    
 N   -8.319100      -1.992400     -0.4245000    
 N    8.472500      -2.073300     -0.3851000    
 C   0.4588000       2.760300     -0.3187000    
 C  -0.8636000       2.508900      -1.075900    
 C  -0.3638000       2.452300      0.9649000    
 C   -2.601100       1.436600      0.3291000    
 C   -3.262400      0.9352000     -0.7412000    
 C   -2.686300      0.9245000      -2.155300    
 C    2.488000       1.411900      0.2960000    
 C   -4.635400      0.3096000     -0.6848000    
 C   -3.120800       1.279600       1.695600    
 C    1.365500       4.618000      -1.575300    
 C    3.413900      0.2965000     -0.2226000    
 C    5.158000     -0.9015000      0.2370000    
 C   -6.177500      -1.932700     -0.3569000    
 C    6.090800      -1.831700      2.2399999E-02
 C    7.324500      -1.391900     -0.7107000    
 C    5.795500      -3.199400      0.5335000    
 C   -5.848900      -4.408500      8.1799999E-02
 H   -1.362600       3.415100      -1.439100    
 H    1.431200       1.220300      -1.475200    
 H   -2.907800     -2.7000001E-02  -2.649600    
 H   -3.155800       1.720900      -2.743300    
 H   -5.174500      0.4873000      -1.622500    
 H   -5.234800      0.7676000      0.1100000    
 H    1.809900       5.605600      -1.425500    
 H   0.4882000       4.726300      -2.218400    
 H    2.106200       3.972900      -2.056600    
 H    3.134400     -8.7800004E-02  -1.212100    
 H   -3.679000       2.437600       3.151900    
 H   -5.261900      -4.277700      0.9939000    
 H   -6.532700      -5.253100      0.2022000    
 H   -5.197400      -4.582500     -0.7779000    
 H    9.357800      -1.839400     -0.8222000    
 H    8.489200      -2.824800      0.2971000    
 H    6.147300      -5.057500      7.5599998E-02


%chk=000053025-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053025

0 1
S -1.296283 0.746747 -1.772403
S -5.732276 -0.749223 0.390290
S 4.346857 -1.406571 1.399802
S 3.945164 -0.659274 -1.320953
O 1.022753 3.337094 0.484113
O -0.641368 1.670954 2.767357
O -3.244023 3.049632 2.696613
O 2.907286 1.332160 1.632339
O -4.911105 1.459994 2.385088
O 8.665316 -2.452717 0.197377
O 6.008228 -0.936585 -2.747304
O 6.957940 -2.326870 1.764127
N -1.790288 2.064400 0.643991
N 1.164289 0.925645 0.101579
N -6.194344 -3.037601 -1.153985
N -5.274149 -1.392696 -2.340422
N -6.029174 -3.526912 -2.474941
N -5.478825 -2.518856 -3.169425
N 8.163154 -1.690314 -2.331793
C 0.334604 2.097376 0.365076
C -0.955311 2.172614 -0.569628
C -0.697494 1.926743 1.562072
C -3.163953 1.764972 0.692262
C -3.831011 1.260364 -0.410321
C -3.175787 0.998451 -1.753206
C 2.337150 0.590538 0.793090
C -5.309493 0.975538 -0.391643
C -3.867054 2.033964 1.984174
C 2.015478 3.619469 -0.574262
C 2.886523 -0.760429 0.349843
C 5.185573 -1.303748 -0.183903
C -5.729367 -1.745191 -1.103254
C 6.495763 -1.631524 -0.507453
C 6.886937 -1.404365 -1.924995
C 7.333303 -2.146295 0.572016
C -6.778267 -3.876147 -0.105953
H -1.066163 3.130965 -1.098650
H 0.737370 0.211695 -0.501716
H -3.607660 0.083043 -2.202651
H -3.392492 1.832303 -2.447465
H -5.730136 0.934817 -1.407950
H -5.885537 1.658452 0.246914
H 2.286019 4.674628 -0.423662
H 1.585914 3.478133 -1.586166
H 2.908097 2.984179 -0.446733
H 2.122587 -1.546902 0.235761
H -3.668449 3.150514 3.590648
H -7.656413 -3.378076 0.339065
H -7.088321 -4.822791 -0.571100
H -6.037953 -4.082166 0.685769
H 8.403217 -1.522201 -3.307352
H 8.843949 -2.056076 -1.660946
H 9.146827 -2.787950 0.999374


