%chk=000050347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050347

0 1
 S    5.665700       1.062900     -0.4773000    
 O    6.848900       1.701900      -1.022700    
 O    5.562300      0.7932000      0.9431000    
 O    1.272800       2.109400       2.720300    
 O   -7.169300     -2.8600000E-02 -0.8495000    
 N  -0.7083000      0.7228000       1.280200    
 N    4.278400       1.910700      -1.045500    
 N   -4.084500      -1.265200     -0.2087000    
 N   -6.088900     -0.3679000      -2.843500    
 C    5.467400     -0.4792000      -1.341600    
 C   -1.853300      4.8799999E-02  0.7755000    
 C    6.593000      -1.447600      -1.012400    
 C   -2.853000      0.7753000      0.1207000    
 C   -1.970300      -1.335300      0.9377000    
 C   -3.966900      6.7800000E-02 -0.3622000    
 C    6.431900      -2.763700      -1.770600    
 C   0.5361000       1.023700      0.7110000    
 C   -3.118600      -1.960200      0.4228000    
 C    3.014900       1.611300     -0.4522000    
 C    1.513600       1.714200       1.438000    
 C   -4.965500      0.7855000      -1.015000    
 C   -2.761500       2.167000     -5.6299999E-02
 C    2.748300       2.006700      0.8586000    
 C   0.8123000      0.6304000     -0.6042000    
 C    2.046900      0.9232000      -1.183700    
 C  -0.9811000      -2.090300       1.591800    
 C    7.533400      -3.749700      -1.415700    
 C   -3.240900      -3.338100      0.5813000    
 C   -4.877800       2.168600      -1.192700    
 C   -3.773600       2.861000     -0.7125000    
 C   -1.127400      -3.466600       1.737100    
 C   -2.259900      -4.091500       1.230700    
 C   -6.145800      0.1061000      -1.538400    
 C    1.620500       1.193200       3.756000    
 H    5.447700     -0.2559000      -2.413000    
 H    4.506000     -0.9079000      -1.043300    
 H    6.609700      -1.643900      6.6600002E-02
 H    7.560500     -0.9958000      -1.263200    
 H    6.449700      -2.575900      -2.850500    
 H    5.460000      -3.212900      -1.535300    
 H  -0.8425000       1.073600       2.224000    
 H    4.238300       2.048400      -2.064500    
 H   -1.914300       2.740200      0.3110000    
 H    3.492700       2.555200       1.431100    
 H   7.8800000E-02  9.2500001E-02  -1.199300    
 H    2.244200      0.6090000      -2.205400    
 H  -8.5199997E-02  -1.633000       2.003500    
 H    7.520300      -3.984800     -0.3467000    
 H    7.399300      -4.683600      -1.970500    
 H    8.518800      -3.344000      -1.666500    
 H   -4.119200      -3.850900      0.1932000    
 H   -5.667100       2.713500      -1.704300    
 H   -3.701100       3.935900     -0.8468000    
 H  -0.3626000      -4.047300       2.243500    
 H   -2.384100      -5.164900       1.339000    
 H    2.699600       1.009500       3.756500    
 H    1.080000      0.2488000       3.639100    
 H    1.341600       1.638500       4.714800    
 H   -6.882200     -0.8425000      -3.261500    
 H   -5.261500     -0.2588000      -3.421300    


%chk=000050347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050347

0 1
S 5.980709 0.899997 -0.894043
O 7.289950 1.325955 -1.760983
O 5.896406 1.201380 0.706281
O 1.235917 1.920364 2.052904
O -7.979471 0.905041 0.128700
N -0.620872 0.722094 0.655365
N 4.384304 1.906957 -1.714985
N -4.272200 -1.123727 -0.600354
N -6.945357 -1.012629 -0.700033
C 5.730910 -1.039860 -1.106159
C -1.798974 0.092755 0.204411
C 6.673247 -1.783586 -0.160565
C -3.045051 0.788887 0.375157
C -1.802393 -1.231351 -0.342608
C -4.283494 0.119832 -0.018026
C 6.489808 -3.319708 -0.286855
C 0.603584 0.913785 -0.006581
C -3.082647 -1.780401 -0.768057
C 3.135777 1.526940 -1.177829
C 1.627060 1.589370 0.744607
C -5.549475 0.803713 0.195987
C -3.104740 2.127785 0.891182
C 2.862822 1.905566 0.172859
C 0.874038 0.570801 -1.356244
C 2.134035 0.837349 -1.922934
C -0.636816 -2.070720 -0.420317
C 7.433110 -4.084377 0.667485
C -3.118562 -3.094633 -1.352581
C -5.544786 2.090098 0.742989
C -4.331100 2.761932 1.075852
C -0.712636 -3.350571 -0.963443
C -1.961496 -3.859830 -1.457190
C -6.925871 0.234608 -0.128034
C 2.205793 2.639157 2.891672
H 5.947204 -1.194084 -2.176314
H 4.662435 -1.193834 -0.878838
H 6.475951 -1.468555 0.881289
H 7.722458 -1.517391 -0.391622
H 6.684010 -3.633199 -1.331993
H 5.437319 -3.587367 -0.063882
H -0.680996 1.249305 1.533676
H 4.487680 1.688191 -2.726288
H -2.179270 2.669952 1.112846
H 3.641079 2.437472 0.724202
H 0.098389 0.091307 -1.958968
H 2.331741 0.546670 -2.961821
H 0.316056 -1.701391 -0.032277
H 7.240004 -3.809871 1.720920
H 7.296892 -5.176635 0.570578
H 8.491811 -3.853955 0.447829
H -4.089192 -3.471245 -1.689714
H -6.519512 2.568467 0.888878
H -4.367986 3.785031 1.463798
H 0.182198 -3.980621 -1.006043
H -2.002143 -4.862686 -1.895841
H 2.443500 3.627676 2.456577
H 3.133148 2.049424 3.008934
H 1.709929 2.763680 3.864902
H -7.849669 -1.422928 -0.929465
H -6.027364 -1.473587 -0.868694


