%chk=000037990.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037990

0 1
 S   -3.361100      -2.528000     -0.8476000    
 O   -1.139400       3.096300      -1.406100    
 O   -5.501500     -0.2244000       1.578000    
 O   -3.915000      -3.375300      -1.887200    
 O   -1.935700      -2.272100     -0.7868000    
 N    1.517800       2.206400     -0.7575000    
 N   -4.253600      -1.056500     -0.8142000    
 C    2.650500       1.273400     -0.8898000    
 C    2.893500      0.6232000      0.4977000    
 C   0.3310000       1.499000     -0.3151000    
 C    2.264300      0.2410000      -1.957800    
 C    3.857500       2.091200      -1.369700    
 C  -0.8524000       2.462200     -0.1603000    
 C    4.056000     -0.3381000      0.5932000    
 C   -2.098900       1.739300      0.3007000    
 C    3.846000      -1.682600      0.3354000    
 C    5.308100      0.1447000      0.9362000    
 C   -2.593100      0.6923000     -0.4582000    
 C   -2.717500       2.139600       1.472400    
 C   -3.741600      2.5000000E-02 -3.2099999E-02
 C    4.918800      -2.569900      0.4232000    
 C    6.380700     -0.7427000       1.023900    
 C   -3.865900       1.472400       1.898600    
 C   -4.378100      0.4152000       1.146300    
 C    6.186000      -2.099900      0.7674000    
 C   -3.856200      -3.231600      0.7096000    
 H    3.028800       1.405200       1.259300    
 H    2.036500      3.4100000E-02  0.8395000    
 H    1.749800       2.941000     -8.9199997E-02
 H   4.5499999E-02  0.7375000      -1.043500    
 H   0.4398000       1.027900      0.6640000    
 H    1.573800     -0.5272000      -1.594100    
 H    1.823800      0.7146000      -2.843900    
 H    3.154300     -0.2961000      -2.308700    
 H    4.166200       2.828800     -0.6199000    
 H    4.719000       1.451800      -1.589300    
 H    3.624600       2.636400      -2.292700    
 H  -0.5933000       3.255200      0.5527000    
 H    2.863900      -2.061600      6.8200000E-02
 H    5.470300       1.199000       1.140400    
 H   -2.119800      0.4051000      -1.393000    
 H   -2.328300       2.960800       2.067000    
 H  -0.3196000       3.521600      -1.710800    
 H    4.767200      -3.626700      0.2239000    
 H    7.367600     -0.3770000       1.292400    
 H   -4.356900       1.781100       2.817500    
 H    7.021300      -2.790700      0.8359000    
 H   -5.277300      -1.137400     -0.8490000    
 H   -3.398500      -4.220300      0.7904000    
 H   -4.943300      -3.327900      0.7279000    
 H   -3.500700      -2.597300       1.523000    
 H   -5.681200     -0.9844000       1.001400    


%chk=000037990-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037990

0 1
S -1.828033 -2.585746 -0.309569
O -0.703313 3.170034 -1.506442
O -5.138090 -0.840169 0.951176
O -1.371540 -3.700863 -1.415979
O -0.694664 -1.620457 0.397584
N 1.441797 2.670370 -0.170517
N -3.465824 -1.268310 -1.075358
C 2.333530 1.515708 -0.569949
C 2.852408 0.769729 0.721408
C 0.228348 2.402521 0.636066
C 1.549414 0.557887 -1.497069
C 3.517143 2.136609 -1.346731
C -1.041078 3.031387 -0.103309
C 3.648666 -0.505249 0.481688
C -2.228234 2.102938 0.085954
C 2.988500 -1.759695 0.376463
C 5.063483 -0.475262 0.366795
C -2.346123 0.965406 -0.730070
C -3.135272 2.273454 1.171832
C -3.317205 -0.032617 -0.438483
C 3.723010 -2.944474 0.147501
C 5.801121 -1.659425 0.139210
C -4.129191 1.315500 1.472936
C -4.207499 0.153701 0.684487
C 5.132009 -2.899845 0.026150
C -2.726209 -3.490370 1.115431
H 3.465144 1.494850 1.295289
H 1.969740 0.523847 1.341016
H 2.002230 3.448247 0.201534
H 0.072103 1.313866 0.715507
H 0.300339 2.806574 1.663511
H 0.736909 0.029124 -0.967660
H 1.116319 1.120344 -2.343463
H 2.227447 -0.213113 -1.899697
H 4.069766 2.867328 -0.722899
H 4.226794 1.350868 -1.654954
H 3.153892 2.656098 -2.251354
H -1.264401 4.027250 0.339133
H 1.895668 -1.805185 0.469866
H 5.591865 0.481752 0.466163
H -1.658652 0.847275 -1.574347
H -3.057347 3.172268 1.796291
H 0.322980 3.134317 -1.471216
H 3.195479 -3.901580 0.064723
H 6.893349 -1.615326 0.057056
H -4.828935 1.453834 2.301552
H 5.700800 -3.820205 -0.148464
H -3.097438 -1.287352 -2.046569
H -1.958235 -4.089844 1.624102
H -3.498961 -4.111343 0.642742
H -3.148100 -2.709275 1.762533
H -5.042212 -1.503778 0.197996


