%chk=000055525.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055525

0 1
 S   -4.018600     -0.1088000      0.6557000    
 O    2.665200       1.223800      0.5097000    
 O   0.8288000     -0.9326000      0.9237000    
 O   -5.140800      0.1356000     -0.5517000    
 O   0.1413000     -0.7397000      -1.290400    
 N   -1.382600     -0.5276000      0.4416000    
 C    3.801800       1.972400     -1.0500000E-02
 C    4.984500      0.9985000     -0.2231000    
 C    4.269000     -0.2956000     -0.1544000    
 C    2.972800     -9.2600003E-02  0.2878000    
 C    3.364900       2.626200      -1.327600    
 C    4.151900       3.051300       1.015500    
 C    4.737600      -1.570500     -0.4161000    
 C    2.095700      -1.141500      0.4869000    
 C    3.865800      -2.646400     -0.2304000    
 C    2.552700      -2.433000      0.2192000    
 C   -6.467100      0.3279000     -8.0300003E-02
 C   -6.896600     -0.9218000      0.6870000    
 C   -7.361800      0.5438000      -1.298900    
 C   -6.487400       1.557700      0.8264000    
 C  -0.1271000     -0.7314000     -9.2600003E-02
 C   -2.549900     -0.2956000     -0.3773000    
 H    5.489900       1.150600      -1.181500    
 H    5.719300       1.057100      0.5871000    
 H    2.487700       3.264600      -1.172000    
 H    3.069600       1.870600      -2.064300    
 H    4.166500       3.234800      -1.758500    
 H    5.003600       3.656100      0.6881000    
 H    4.394900       2.602200       1.985200    
 H    3.298100       3.715900       1.189700    
 H    5.755400      -1.737100     -0.7520000    
 H    4.207300      -3.658400     -0.4302000    
 H    1.893800      -3.286200      0.3601000    
 H   -6.395400      -1.036600       1.654000    
 H   -7.971600     -0.8929000      0.9002000    
 H   -6.693100      -1.830100      0.1075000    
 H   -7.312100     -0.3172000      -1.975500    
 H   -7.027200       1.412000      -1.878200    
 H   -8.407200      0.7000000      -1.013500    
 H   -5.990500       2.409800      0.3476000    
 H   -5.997700       1.398700       1.793000    
 H   -7.519000       1.853400       1.051100    
 H   -1.492000     -0.5385000       1.450700    
 H   -2.669800      -1.142600      -1.059900    
 H   -2.383200      0.6100000     -0.9687000    


%chk=000055525-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055525

0 1
S -3.934954 -1.104377 -0.766327
O 2.387529 1.202101 -0.395449
O 0.313484 -0.301562 1.084677
O -4.661194 -0.306007 0.721444
O 0.091101 -0.832720 -1.224481
N -1.594419 0.263535 -0.001573
C 3.674262 1.492120 -1.188661
C 4.796958 0.740432 -0.393666
C 4.024697 -0.263938 0.450438
C 2.654973 0.082789 0.393782
C 3.452464 0.891941 -2.587473
C 3.827591 3.014971 -1.206116
C 4.450868 -1.345051 1.240106
C 1.690624 -0.661591 1.098633
C 3.483956 -2.084520 1.970725
C 2.112622 -1.745536 1.895876
C -6.038889 0.297870 0.547469
C -6.014040 1.428211 -0.499551
C -6.293113 0.838530 1.969268
C -7.043964 -0.808067 0.170914
C -0.362253 -0.336520 -0.171774
C -2.595836 0.232192 -1.036296
H 5.513805 0.259749 -1.082765
H 5.363779 1.443041 0.247685
H 2.553543 1.330120 -3.053004
H 3.303965 -0.200136 -2.524112
H 4.324742 1.095684 -3.236263
H 4.742239 3.300892 -1.757256
H 3.897939 3.411691 -0.178662
H 2.961584 3.485882 -1.702480
H 5.511103 -1.615267 1.294789
H 3.795358 -2.931073 2.590937
H 1.356445 -2.317375 2.442827
H -5.718616 1.033567 -1.488997
H -7.016547 1.882595 -0.600260
H -5.304846 2.221604 -0.201926
H -5.537602 1.596769 2.238519
H -6.242879 0.019147 2.706191
H -7.294454 1.303291 2.022066
H -7.015834 -1.620724 0.917364
H -6.803004 -1.233306 -0.820466
H -8.071455 -0.402382 0.129846
H -1.856965 0.563064 0.939140
H -2.121634 -0.013846 -2.000327
H -3.135734 1.188509 -1.094614


