%chk=000004758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004758

-1 1
 S    2.878500       1.039900       1.660500    
 O    2.261300      0.8268000      -2.671800    
 O    4.384300      -1.856100       1.116200    
 O    5.714400      -1.897400     -0.7449000    
 O   -1.265200      0.4331000       1.328100    
 O   -3.521100     -0.8435000      0.6970000    
 N    2.836200     -0.2182000     -0.6370000    
 N  -0.2662000     -8.6000003E-03 -0.7194000    
 C    1.939500     -2.3100000E-02  0.5011000    
 C    4.418500       1.059700      0.6141000    
 C    4.262400     -7.9099998E-02 -0.4239000    
 C   0.9875000      0.7058000     -0.4622000    
 C    2.069900      0.4651000      -1.533200    
 C    4.486300       2.431800     -7.8500003E-02
 C    5.638600      0.9091000       1.530000    
 C    4.843600      -1.409200      2.8700000E-02
 C   -1.300600     -8.3999999E-02  0.2135000    
 C   -2.505900     -0.8629000     -0.2925000    
 C   -2.141700      -2.312200     -0.5727000    
 C   -4.710700     -0.2907000      0.3921000    
 C   -4.793000       1.056300      1.1700000E-02
 C   -5.885800      -1.053000      0.4512000    
 C   -6.025200       1.629300     -0.3032000    
 C   -7.118100     -0.4802000      0.1361000    
 C   -7.187700      0.8610000     -0.2409000    
 H    1.583500     -0.9671000      0.9247000    
 H    4.726300      0.2123000      -1.375100    
 H   0.8161000       1.770200     -0.2667000    
 H    5.374100       2.493400     -0.7191000    
 H    3.615700       2.628300     -0.7126000    
 H    4.556000       3.249500      0.6490000    
 H    5.762200       1.789400       2.173000    
 H    5.581600      4.2900000E-02   2.196100    
 H    6.555900      0.8161000      0.9370000    
 H  -0.4139000     -0.4423000      -1.627400    
 H   -2.842700     -0.3983000      -1.229200    
 H   -3.032800      -2.884000     -0.8542000    
 H   -1.728700      -2.789900      0.3233000    
 H   -1.405500      -2.408600      -1.376100    
 H   -3.897800       1.671300     -3.4000002E-02
 H   -5.840400      -2.098900      0.7438000    
 H   -6.079800       2.674000     -0.5950000    
 H   -8.023200      -1.078400      0.1845000    
 H   -8.147100       1.307100     -0.4857000    


%chk=000004758-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004758

-1 1
S 3.311753 0.063709 1.764387
O 0.389011 2.023348 -1.194981
O 3.969861 -1.403514 -1.580954
O 5.407345 0.253672 -2.423616
O -1.776702 -0.619475 2.135504
O -4.027483 -1.625289 0.518514
N 2.257978 0.549943 -0.641632
N -0.506166 -0.848197 0.182719
C 2.049804 -0.445669 0.426059
C 4.272194 1.236415 0.499799
C 3.633946 0.939984 -0.926842
C 0.566094 0.064469 0.546622
C 0.976746 1.103405 -0.576558
C 3.988968 2.695296 0.922339
C 5.770975 0.902294 0.571684
C 4.408753 -0.192611 -1.734350
C -1.613977 -1.095650 0.976067
C -2.636176 -2.066089 0.322521
C -2.557091 -3.442706 0.993467
C -4.479754 -0.451604 -0.114903
C -3.664860 0.451788 -0.841319
C -5.870629 -0.210765 0.017869
C -4.256740 1.592452 -1.432413
C -6.444707 0.929300 -0.578126
C -5.641962 1.838692 -1.310868
H 2.246931 -1.480694 0.117645
H 3.656279 1.869360 -1.521648
H 0.322771 0.526661 1.515448
H 4.583536 3.387114 0.292378
H 2.919692 2.946191 0.804441
H 4.265534 2.863518 1.979006
H 6.181409 1.171082 1.563562
H 5.940097 -0.169913 0.385926
H 6.310168 1.459551 -0.216229
H -0.457827 -1.269786 -0.748586
H -2.440958 -2.144796 -0.769903
H -3.300148 -4.125837 0.548044
H -2.767041 -3.333060 2.070507
H -1.548960 -3.876714 0.870664
H -2.583973 0.315114 -0.930387
H -6.471743 -0.923286 0.591754
H -3.614388 2.292480 -1.978002
H -7.520805 1.109191 -0.468946
H -6.088455 2.727326 -1.770264


