%chk=000002282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002282

0 1
 S   -2.086800       3.656600     -0.8575000    
 O  -0.5038000      0.7500000       2.048400    
 O   -3.195400     -0.6381000      0.1203000    
 O   -5.089900      0.3387000       1.014800    
 O    2.559600       1.074400       1.190100    
 O   -2.931100      -2.917100     -0.5003000    
 O   -1.076400      -4.107600     -0.4828000    
 O   -1.449800      -2.625000       1.241900    
 N   -1.789700       1.281800      0.1422000    
 N    1.229300       1.277900     -0.6995000    
 N    3.008000      -1.248000     -0.9634000    
 C   -1.148400       2.086000     -0.9021000    
 C   -3.635500       2.761300     -0.3385000    
 C   -3.116800       1.646300      0.5950000    
 C   0.1385000       2.025900     -6.7500003E-02
 C  -0.6836000       1.194100      0.9372000    
 C   -4.335900       2.255400      -1.606900    
 C   -4.546400       3.736200      0.4100000    
 C   -3.935700      0.3950000      0.6131000    
 C    2.366200      0.8590000     -4.9999999E-03
 C    3.374100      0.1455000     -0.8966000    
 C   -3.825200      -1.933000      6.1600000E-02
 C    4.790400      0.3335000     -0.4055000    
 C   -5.036300      -1.853800     -0.8569000    
 C    5.529700       1.411600     -0.8638000    
 C    5.322800     -0.5761000      0.4935000    
 C    6.837600       1.585100     -0.4107000    
 C    6.630500     -0.4028000      0.9468000    
 C   -1.784700      -3.161100      0.1941000    
 C    7.387900      0.6779000      0.4946000    
 C   0.1691000      -4.489000      0.1105000    
 C   0.8274000      -5.540300     -0.7574000    
 H   -1.138300       1.575900      -1.870300    
 H   -3.022900       1.993500       1.632400    
 H   0.4861000       2.979800      0.3443000    
 H   -5.288000       1.769800      -1.364400    
 H   -3.728600       1.525300      -2.153700    
 H   -4.568400       3.079100      -2.292500    
 H   -4.053400       4.159600       1.292800    
 H   -5.454400       3.229500      0.7560000    
 H   -4.860600       4.568400     -0.2307000    
 H    1.171700       1.049900      -1.689300    
 H    3.304900      0.5594000      -1.911200    
 H   -4.120000      -2.256900       1.067500    
 H    2.063200      -1.343900      -1.334700    
 H    3.613700      -1.738000      -1.621400    
 H   -5.873000      -1.297100     -0.4307000    
 H   -4.769600      -1.372900      -1.805200    
 H   -5.400000      -2.859400      -1.096000    
 H    5.109400       2.125000      -1.566800    
 H    4.753900      -1.416700      0.8795000    
 H    7.426900       2.426900     -0.7620000    
 H    7.058000      -1.106400       1.655300    
 H    8.405700      0.8136000      0.8485000    
 H  -1.2500000E-02  -4.895900       1.111500    
 H   0.8206000      -3.611300      0.1875000    
 H    1.784200      -5.855500     -0.3320000    
 H   0.1794000      -6.417100     -0.8593000    
 H   0.9998000      -5.153200      -1.767200    


%chk=000002282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002282

0 1
S -1.128128 2.798403 2.233908
O -0.629029 -1.715576 1.418133
O -2.740736 0.053877 -1.402805
O -4.755648 0.565715 -0.328589
O 3.216766 0.925425 2.937687
O -2.663217 -2.082853 -2.376850
O -1.917600 -3.829916 -1.192635
O -3.590524 -2.481393 -0.248121
N -1.223911 0.557741 0.784591
N 2.022795 0.291088 1.045434
N 5.588283 0.857672 1.613865
C -0.223727 1.621358 1.056615
C -2.772515 2.405182 1.251841
C -2.650388 0.861171 0.895490
C 0.728874 0.510195 1.646333
C -0.430729 -0.492259 1.295476
C -2.808688 3.294019 -0.010288
C -3.972803 2.670982 2.174067
C -3.510462 0.485580 -0.319638
C 3.197636 0.485240 1.749945
C 4.511080 0.065299 1.021054
C -3.407363 -0.816698 -2.409701
C 4.430814 0.224352 -0.502418
C -3.241277 -0.231647 -3.795942
C 4.044679 -0.866591 -1.322176
C 4.720875 1.473673 -1.105804
C 3.932816 -0.708870 -2.724004
C 4.610468 1.631855 -2.504065
C -2.798172 -2.787659 -1.165266
C 4.212081 0.543135 -3.317911
C -1.815986 -4.596579 0.103416
C -0.796317 -5.701947 -0.134387
H 0.154996 2.160894 0.175447
H -3.081340 0.273028 1.730858
H 0.863284 0.621012 2.736485
H -3.747033 3.126522 -0.572006
H -1.958536 3.088035 -0.684356
H -2.767049 4.356689 0.280166
H -3.890148 2.103180 3.117216
H -4.903670 2.365931 1.661881
H -4.047523 3.744930 2.419180
H 2.084822 -0.017270 0.070828
H 4.594025 -1.032356 1.234512
H -4.452448 -0.971900 -2.085677
H 5.396898 1.126742 2.584897
H 6.530585 0.502999 1.443316
H -3.783280 0.725988 -3.864594
H -2.173887 -0.061118 -4.010720
H -3.648743 -0.928156 -4.547622
H 3.849203 -1.847462 -0.868357
H 5.051625 2.292238 -0.457799
H 3.637725 -1.560186 -3.347465
H 4.838662 2.600658 -2.963164
H 4.131622 0.667022 -4.403694
H -2.819831 -4.986771 0.348066
H -1.501429 -3.877051 0.878245
H -0.676358 -6.294935 0.790598
H -1.120480 -6.379100 -0.943073
H 0.185861 -5.277835 -0.402822


