%chk=000000747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000747

-1 1
 S   -1.969700       1.487600      0.7753000    
 S   -2.967300       3.324100      0.3912000    
 O    1.781900      0.3873000      -2.099600    
 O   -1.142400      -2.188400      0.6491000    
 O    5.065900     -0.9789000       2.070800    
 O    6.403700      -1.645800      0.3658000    
 O   -4.073600       2.927900     -0.4747000    
 O   -1.922700       4.110500     -0.2580000    
 O   -3.349800       3.780900       1.723800    
 O   -4.565200      -1.115400      0.6895000    
 O   -5.525000      -3.169400      0.7750000    
 N   0.5419000     -0.2977000     -0.2588000    
 N   -2.706700      -1.790600      -1.017400    
 N    6.585800      0.9763000     -0.4644000    
 C  -0.7375000     -0.3854000     -0.9240000    
 C    4.193000      0.5007000     -0.6743000    
 C    2.899300      8.0600001E-02  2.6400000E-02
 C    5.391100      0.5696000      0.2793000    
 C    1.704300      8.5500002E-02 -0.9118000    
 C   -1.492100      0.9462000     -0.8983000    
 C   -1.530200      -1.544800     -0.3240000    
 C    5.695500     -0.7901000      0.8817000    
 C   -3.616000      -2.853200     -0.6568000    
 C   -4.664400      -2.417400      0.3342000    
 H  -0.5449000     -0.6442000      -1.973700    
 H    4.045100       1.481500      -1.145600    
 H    4.399000     -0.2078000      -1.488400    
 H    2.685300      0.7623000      0.8580000    
 H    2.991700     -0.9339000      0.4300000    
 H    5.214600       1.293200       1.082800    
 H   0.5806000     -0.5069000      0.7350000    
 H  -0.8674000       1.731200      -1.338500    
 H   -2.403500      0.8832000      -1.500800    
 H   -2.944400      -1.221100      -1.823600    
 H    7.363900       1.102100      0.1822000    
 H    6.426200       1.886400     -0.8950000    
 H   -3.049500      -3.682600     -0.2232000    
 H   -4.116100      -3.176600      -1.574000    
 H    5.255700      -1.864300       2.448300    
 H   -5.257900     -0.8564000       1.334000    


%chk=000000747-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000747

-1 1
S -2.012154 1.277873 1.168949
S -4.140601 2.456884 0.382559
O 1.829738 1.245060 -1.519181
O -0.851058 -2.382103 0.174902
O 5.233305 -1.446080 1.701322
O 7.406055 -1.199356 0.943306
O -5.431072 1.464717 0.821935
O -3.922037 2.495923 -1.245430
O -4.207507 3.876195 1.161976
O -5.041635 -0.614581 -0.425275
O -5.566756 -2.395426 0.997562
N 0.711269 -0.331588 -0.225138
N -2.672633 -1.525513 -1.000622
N 6.735172 0.855101 -0.728033
C -0.587968 -0.180615 -0.893224
C 4.359421 0.154664 -0.600603
C 3.082004 0.088175 0.261454
C 5.680422 0.408178 0.181488
C 1.829071 0.378749 -0.580863
C -1.272307 1.172939 -0.560926
C -1.394860 -1.456754 -0.519183
C 6.215914 -0.807021 0.937120
C -3.628562 -2.534469 -0.515225
C -4.856583 -1.842156 0.120498
H -0.416883 -0.174915 -1.991435
H 4.231697 1.000621 -1.303165
H 4.472056 -0.753023 -1.220784
H 3.130443 0.874088 1.044256
H 2.998288 -0.875667 0.790716
H 5.435643 1.149337 0.989734
H 0.750551 -1.130040 0.424345
H -0.522672 1.970278 -0.680951
H -2.107571 1.399549 -1.258715
H -3.130160 -0.677023 -1.359734
H 7.693831 0.663186 -0.433219
H 6.571917 1.748630 -1.189816
H -3.131787 -3.165825 0.237911
H -3.971402 -3.186896 -1.341824
H 5.653024 -2.202026 2.195558
H -5.375414 0.247132 0.165256


