%chk=000072694.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072694

0 1
 S    4.637600       2.719100     -0.1249000    
 S    8.771900     -0.7372000      5.4699998E-02
 O    3.886300       2.897100       1.312900    
 O    9.075800     -0.8636000       1.656200    
 O    5.823500       3.556800     -9.8499998E-02
 O    3.648300       2.852000      -1.178500    
 O    9.066700      -2.034000     -0.5370000    
 O    9.424400      0.4672000     -0.4349000    
 O   -6.225800      -2.078500      3.8500000E-02
 N   0.6479000     -0.7101000     -0.5627000    
 N   0.1356000     -0.6901000      0.5810000    
 N   -5.378300      0.1095000      0.1885000    
 N   -11.65270       1.136100     -0.3594000    
 C    4.282400     -3.6699999E-02 -0.2589000    
 C    4.795000      -1.355700     -0.2710000    
 C    5.171600       1.044700     -0.1493000    
 C    7.050800     -0.4682000     -6.5499999E-02
 C    6.181900      -1.554500     -0.1732000    
 C    6.546500      0.8288000     -5.3399999E-02
 C    2.895600      0.1621000     -0.3569000    
 C    3.905900      -2.437200     -0.3804000    
 C    2.026700     -0.9241000     -0.4655000    
 C    2.530800      -2.221200     -0.4771000    
 C   -1.768600      0.8172000      0.4930000    
 C   -1.249700     -0.4749000      0.4828000    
 C   -4.000200     -8.5299999E-02  0.2867000    
 C   -3.146200       1.012300      0.3949000    
 C   -2.098600      -1.573200      0.3749000    
 C   -3.476400      -1.378000      0.2767000    
 C  -0.8736000       2.007600      0.6091000    
 C   -7.766900     -0.3377000     -4.1299999E-02
 C   -6.380800     -0.8625000      7.3799998E-02
 C   -8.813500      -1.121800      0.3962000    
 C   -7.960700      0.9166000     -0.5808000    
 C   -10.33790      0.6369000     -0.2526000    
 C   -10.11400     -0.6289000      0.2893000    
 C   -9.261200       1.409500     -0.6875000    
 H    6.574700      -2.569300     -0.1747000    
 H    7.237900       1.659600      4.4599999E-02
 H    2.430500       1.139200     -0.3061000    
 H    4.277400      -3.459800     -0.3918000    
 H    1.861600      -3.073600     -0.5619000    
 H   -3.556700       2.019700      0.4010000    
 H   -1.698700      -2.583900      0.3673000    
 H    4.451500       2.749800       2.107400    
 H   -4.070200      -2.277500      0.1964000    
 H  -0.1968000       1.902200       1.463700    
 H   -1.442700       2.930700      0.7643000    
 H  -0.2836000       2.130600     -0.3048000    
 H    8.626900      -1.613100       2.113700    
 H   -5.658500       1.084100      0.2505000    
 H   -8.656300      -2.106500      0.8262000    
 H   -7.158100       1.534300     -0.9694000    
 H   -10.94470      -1.239900      0.6334000    
 H   -9.423900       2.393700      -1.119500    
 H   -11.81550       2.052800     -0.7542000    
 H   -12.43390      0.5755000     -4.6300001E-02


%chk=000072694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072694

0 1
S 4.541791 2.563196 0.107670
S 9.025509 -0.705003 -0.218182
O 3.978405 2.413064 1.871896
O 9.288876 -0.679358 1.619879
O 5.775809 3.603122 0.017404
O 3.230721 2.805274 -0.811145
O 9.423559 -2.164884 -0.788527
O 9.670807 0.639178 -0.844252
O -6.270450 -2.016959 0.027845
N 0.722192 -1.473901 -0.003701
N 0.171350 -0.283857 0.113351
N -5.459020 0.187204 0.103718
N -11.917356 1.124631 -0.204676
C 4.342240 -0.330978 -0.030354
C 4.991074 -1.636489 -0.124929
C 5.221933 0.803535 0.002914
C 7.166459 -0.556944 -0.130959
C 6.415211 -1.723228 -0.169692
C 6.606964 0.741756 -0.038090
C 2.923872 -0.257251 0.015681
C 4.175417 -2.815335 -0.164296
C 2.152972 -1.435590 -0.027015
C 2.789529 -2.718975 -0.117240
C -1.835444 1.048345 0.239302
C -1.239028 -0.254403 0.112102
C -4.065942 -0.019260 0.107395
C -3.237832 1.135267 0.231675
C -2.070354 -1.409496 -0.011592
C -3.463686 -1.310324 -0.012468
C -0.980791 2.291822 0.379928
C -7.879251 -0.206981 -0.047366
C -6.497467 -0.767605 0.022395
C -8.957628 -1.097093 0.215734
C -8.194141 1.139029 -0.387467
C -10.599582 0.689625 -0.157575
C -10.288888 -0.666223 0.169646
C -9.524268 1.584369 -0.444165
H 6.911167 -2.697049 -0.249373
H 7.228246 1.644468 -0.021033
H 2.403668 0.701893 0.071394
H 4.664265 -3.792948 -0.233752
H 2.148095 -3.604854 -0.149414
H -3.706499 2.123969 0.324682
H -1.582592 -2.384374 -0.106135
H 3.543557 3.279856 2.122872
H -4.103327 -2.189572 -0.096430
H -0.368033 2.246606 1.297824
H -1.607427 3.199231 0.420296
H -0.269327 2.388133 -0.458324
H 10.274322 -0.608657 1.785396
H -5.754666 1.160553 0.205295
H -8.713838 -2.137444 0.454563
H -7.408870 1.856088 -0.660137
H -11.100944 -1.371146 0.384001
H -9.742230 2.622158 -0.722909
H -12.143911 2.086765 -0.440815
H -12.684221 0.485745 -0.013142


