%chk=000033649.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033649

0 1
 S    2.870500       2.067400      9.4300002E-02
 O   -4.130800       2.042700     -0.3006000    
 O   0.3670000       1.123700      -1.483100    
 O    2.845100       2.589200      -1.258600    
 O    3.543500       2.797200       1.151300    
 N  -0.9691000       1.046100      0.4028000    
 N    1.276300       1.699800      0.5898000    
 C   -4.266300     -0.2712000      0.6211000    
 C   -3.847200      -1.108200     -0.6304000    
 C   -2.339300     -0.9378000     -0.2920000    
 C   -3.461500       1.060900      0.4753000    
 C   -2.173500      0.6057000     -0.2468000    
 C   -3.572700      -1.038100       1.782900    
 C   -2.246200      -1.492400       1.151100    
 C   -5.757200     -9.4999999E-02  0.8441000    
 C   -4.264200     -0.5353000      -1.999400    
 C   -4.329900      -2.575600     -0.6339000    
 C   0.2181000       1.272600     -0.2740000    
 C    3.591000      0.4541000      4.8200000E-02
 C    3.533700     -0.2779000      -1.125200    
 C    4.199100     -4.7899999E-02   1.186000    
 C    4.101700      -1.551300      -1.162200    
 C    4.767100      -1.321400       1.148900    
 C    4.718400      -2.073000     -2.5200000E-02
 C    5.326300      -3.434400     -6.4499997E-02
 H   -1.645100      -1.426500     -0.9807000    
 H   -3.262800       1.511600       1.454800    
 H   -2.142400       1.001900      -1.268400    
 H   -4.158500      -1.899400       2.122000    
 H   -3.402400     -0.4036000       2.659900    
 H   -1.380900      -1.120700       1.707500    
 H   -2.173100      -2.585400       1.150100    
 H   -6.256200      -1.059100      0.9863000    
 H   -5.945900      0.5105000       1.737000    
 H   -6.235400      0.4038000     -4.6999999E-03
 H   -3.784700      -1.100100      -2.807800    
 H   -4.010000      0.5119000      -2.162300    
 H   -5.348500     -0.6165000      -2.137600    
 H   -3.830900      -3.137300      -1.432200    
 H   -5.409400      -2.627000     -0.8165000    
 H   -4.147200      -3.120700      0.2941000    
 H  -0.9747000       1.167600       1.411000    
 H   -3.527900       2.799800     -0.3956000    
 H    1.054700       1.836900       1.584100    
 H    3.054700      0.1088000      -2.019300    
 H    4.240000      0.5174000       2.111900    
 H    4.055000      -2.128300      -2.081900    
 H    5.241800      -1.718500       2.042300    
 H    6.183300      -3.504100      0.6141000    
 H    4.585300      -4.185100      0.2277000    
 H    5.692700      -3.674800      -1.068300    


%chk=000033649-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033649

0 1
S 2.686277 1.223316 1.808065
O -2.053095 0.349054 -1.591279
O 0.397905 0.299405 -0.095271
O 2.231288 2.670034 1.252151
O 3.417896 1.066018 3.252648
N -1.009937 -0.503279 1.583487
N 1.198544 0.147878 2.093293
C -4.153838 0.145052 -0.200707
C -4.302780 -1.428825 -0.032009
C -3.336753 -1.479557 1.216005
C -2.600029 0.349881 -0.237474
C -2.051296 -0.864873 0.605333
C -4.568136 0.642731 1.224937
C -3.980789 -0.447111 2.192970
C -4.902532 0.809618 -1.356297
C -3.817223 -2.242515 -1.260851
C -5.736692 -1.911085 0.296943
C 0.189395 0.007442 1.131094
C 3.690286 0.312452 0.504212
C 3.408535 0.545414 -0.850378
C 4.720513 -0.521687 0.963972
C 4.218762 -0.115186 -1.798227
C 5.511565 -1.170625 -0.009937
C 5.270311 -0.983122 -1.396712
C 6.106890 -1.708816 -2.433800
H -3.184440 -2.484776 1.647762
H -2.329946 1.303414 0.264595
H -1.606539 -1.581879 -0.109031
H -5.667934 0.705874 1.309210
H -4.167494 1.651561 1.431673
H -3.252643 -0.015726 2.905563
H -4.769277 -0.923970 2.800431
H -5.987485 0.599078 -1.301477
H -4.770171 1.907257 -1.332574
H -4.516136 0.457395 -2.327330
H -3.583219 -3.285454 -0.970648
H -2.938091 -1.794249 -1.750305
H -4.620616 -2.284388 -2.019638
H -5.741482 -3.008939 0.436610
H -6.418053 -1.686054 -0.544545
H -6.166439 -1.456478 1.205038
H -1.179698 -0.655879 2.578166
H -1.063155 0.416057 -1.460057
H 1.084866 -0.057313 3.092630
H 2.587821 1.204070 -1.144729
H 4.908475 -0.637914 2.036023
H 4.027138 0.043766 -2.865366
H 6.328762 -1.824951 0.313686
H 7.085780 -2.014574 -2.026838
H 5.591246 -2.625197 -2.780499
H 6.285061 -1.079345 -3.323117


