%chk=000085349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085349

0 1
 S    4.452300      0.6154000     -6.6200003E-02
 S    7.822600       1.333500     -0.1159000    
 O   -4.605200      0.7815000       2.424600    
 O   -4.310400       2.245100      -2.080100    
 O    6.542900       2.333600      3.1800002E-02
 O    8.639200       1.495300       1.072300    
 O    8.383300       1.495900      -1.443400    
 O   -8.514800      -2.466300       1.533400    
 O   -9.372000      -2.694800     -0.5492000    
 N   -2.159300      0.4856000     -9.3000000E-03
 N    3.834200      -1.887300      1.2600000E-02
 C   -4.043600       1.962200      0.3453000    
 C   -5.794200      0.3003000      0.4241000    
 C   -4.787700      0.9843000       1.238900    
 C   -5.707500      0.7295000     -0.8975000    
 C   -4.639000       1.722000      -1.031900    
 C   -2.571400       1.719100      0.3629000    
 C   0.1096000       1.201700      0.3737000    
 C  -0.8378000      0.2276000     -4.9999999E-03
 C   -1.721200       2.735600      0.7488000    
 C   -6.718700     -0.6462000      0.8207000    
 C   -6.541300      0.2302000      -1.879000    
 C  -0.3600000       2.466600      0.7523000    
 C    1.920800     -0.3669000     -1.3800000E-02
 C    1.481500      0.8978000      0.3667000    
 C   -7.572800      -1.160700     -0.1586000    
 C    5.747900     -0.5220000     -4.4599999E-02
 C    7.132000     -0.2864000     -6.4000003E-02
 C    3.329600     -0.6751000     -1.8300001E-02
 C   -7.484900     -0.7268000      -1.495700    
 C  -0.3708000      -1.028800     -0.3809000    
 C    5.219600      -1.815900     -1.9000000E-03
 C   0.9932000      -1.331200     -0.3881000    
 C    7.991500      -1.387800     -3.9500002E-02
 C    6.110400      -2.911000      2.2100000E-02
 C    7.489600      -2.683700      3.1000001E-03
 C    9.477200      -1.211800     -5.7100002E-02
 C   -8.564900      -2.160300      0.2066000    
 H   -4.316100       2.977400      0.6573000    
 H   -2.086700       3.713500       1.041600    
 H   -6.751700     -0.9553000       1.859500    
 H   -6.474200      0.5605000      -2.909300    
 H   0.3320000       3.250200       1.052200    
 H    2.161500       1.680200      0.6948000    
 H   -8.151200      -1.132100      -2.253700    
 H   -1.077500      -1.801200     -0.6789000    
 H    1.303100      -2.327800     -0.6934000    
 H    5.728800      -3.927500      5.5700000E-02
 H    8.157200      -3.541600      2.3700001E-02
 H    9.803300     -0.6131000     -0.9120000    
 H    9.829600     -0.7620000      0.8756000    
 H    9.991000      -2.176000     -0.1518000    
 H    6.090700       2.317700      0.9080000    
 H   -9.184400      -3.140600       1.777600    


%chk=000085349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085349

0 1
S 4.583719 0.852196 0.226667
S 8.262522 1.102889 0.319620
O -4.843608 1.073184 2.538797
O -4.645271 2.509234 -2.095772
O 6.876941 2.335175 0.259408
O 8.889888 1.139486 1.812657
O 9.247386 1.366485 -0.931542
O -8.322055 -2.913592 1.532178
O -9.053495 -3.214679 -0.652838
N -2.318416 0.687203 0.167693
N 3.735229 -1.680741 -0.167982
C -4.258163 2.146521 0.354037
C -5.867329 0.285320 0.449829
C -4.976128 1.136517 1.294456
C -5.812195 0.706469 -0.902805
C -4.880731 1.865840 -1.045484
C -2.749721 1.955644 0.347864
C 0.015923 1.523380 0.293911
C -0.954817 0.456664 0.140459
C -1.863279 3.070832 0.506493
C -6.687429 -0.787432 0.847418
C -6.576833 0.065047 -1.900799
C -0.486453 2.852524 0.478669
C 1.847587 -0.105378 0.070665
C 1.408238 1.215627 0.255712
C -7.452485 -1.437862 -0.151934
C 5.806273 -0.464340 0.026677
C 7.213715 -0.460540 0.037490
C 3.269422 -0.457435 0.023518
C -7.396038 -1.013657 -1.513729
C -0.485892 -0.884682 -0.046988
C 5.133545 -1.727317 -0.171882
C 0.875934 -1.160924 -0.081579
C 7.990114 -1.638294 -0.130086
C 5.880671 -2.912093 -0.349885
C 7.281863 -2.858498 -0.326569
C 9.508229 -1.650279 -0.110416
C -8.347285 -2.588810 0.172275
H -4.497336 3.181217 0.662021
H -2.275066 4.074605 0.644470
H -6.732839 -1.112802 1.889819
H -6.524793 0.401963 -2.940345
H 0.214991 3.686231 0.596595
H 2.130257 2.034172 0.371086
H -8.008481 -1.552280 -2.244313
H -1.234897 -1.673810 -0.159377
H 1.246208 -2.180019 -0.224378
H 5.344234 -3.852940 -0.498412
H 7.863712 -3.776107 -0.458531
H 9.924693 -1.134750 -0.994114
H 9.912745 -1.139330 0.782827
H 9.877516 -2.687808 -0.104870
H 7.194572 3.147189 0.748985
H -8.929794 -3.683115 1.699132


