%chk=000038103.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038103

0 1
 S   0.4109000      -1.293900      0.9573000    
 O    2.350300       2.561300     -0.7717000    
 O   -2.146800       2.064700       1.567400    
 O    4.076600     -7.5700000E-02  -2.059200    
 O    5.421000      0.4950000     -0.2994000    
 N    2.282800      0.4886000      0.3508000    
 N  -0.6154000       1.416600     -4.8999999E-02
 N   -4.053900       2.434500     -0.3384000    
 C    1.240900      0.2660000       1.336700    
 C   0.5787000       1.547700      0.7852000    
 C    1.891000       1.723600     -3.0999999E-02
 C    3.254900     -0.4146000      6.2899999E-02
 C    1.932000      -2.281300       1.161600    
 C    3.159900      -1.706200      0.4590000    
 C   -1.899800       1.691000      0.4212000    
 C   -2.984800       1.482800     -0.6266000    
 C    4.232400      -2.748200      0.2495000    
 C    4.383200      5.7100002E-02 -0.7537000    
 C   -3.449800      6.6299997E-02 -0.5540000    
 C   -4.010200     -0.3810000      0.7753000    
 C   -3.374100     -0.7628000      -1.610300    
 C   -3.829500      -2.193300      -1.579800    
 C   -4.465600      -1.811100      0.8030000    
 C   -4.384400      -2.627100     -0.2565000    
 H    1.600900      0.3610000       2.368000    
 H   0.4669000       2.336000       1.540300    
 H  -0.5220000       1.098300      -1.010700    
 H    1.707500      -3.275000      0.7595000    
 H    2.143500      -2.393100       2.230600    
 H   -2.576900       1.725800      -1.614700    
 H    5.142500      -2.343100     -0.2014000    
 H    3.864000      -3.543300     -0.4071000    
 H    4.516000      -3.192900       1.209200    
 H   -4.871600      0.2376000       1.050200    
 H   -3.255500     -0.2741000       1.561600    
 H   -2.963800     -0.4053000      -2.551200    
 H   -4.411200       2.313000      0.6073000    
 H   -4.835700       2.286000     -0.9747000    
 H   -2.981900      -2.838700      -1.836400    
 H   -4.596900      -2.335900      -2.349100    
 H   -4.878300      -2.189600       1.733700    
 H   -4.732500      -3.652000     -0.1668000    
 H    4.804600      0.2282000      -2.642300    


%chk=000038103-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038103

0 1
S 0.376857 -1.387258 1.143280
O 1.714833 1.642996 -1.881621
O -1.861043 2.959005 1.181092
O 5.167172 -0.917088 -1.510594
O 4.735550 1.264390 -0.845475
N 2.244061 0.409435 0.164296
N -0.965624 1.200360 -0.056011
N -4.420157 2.305307 0.537602
C 1.172904 0.334061 1.172637
C 0.390901 1.441013 0.363923
C 1.519685 1.269698 -0.717020
C 3.300686 -0.517535 -0.013206
C 2.053822 -2.243467 1.397388
C 3.244494 -1.762933 0.574672
C -2.013788 2.002370 0.364972
C -3.387470 1.676022 -0.286676
C 4.364271 -2.783740 0.546696
C 4.442675 0.049379 -0.795519
C -3.606435 0.166991 -0.452690
C -3.819117 -0.633554 0.819812
C -3.627746 -0.401479 -1.689814
C -3.854333 -1.878490 -1.943450
C -4.090093 -2.100751 0.565205
C -4.105680 -2.663279 -0.670059
H 1.486032 0.573175 2.199569
H 0.417823 2.417573 0.877964
H -1.181209 0.415784 -0.679826
H 1.859617 -3.306311 1.166557
H 2.297934 -2.183552 2.475168
H -3.318228 2.113317 -1.315374
H 5.331858 -2.350499 0.260864
H 4.134285 -3.581339 -0.186741
H 4.460611 -3.270193 1.536603
H -4.646990 -0.163446 1.388746
H -2.933191 -0.526029 1.485728
H -3.496638 0.237629 -2.577173
H -4.064746 3.071416 1.119192
H -5.303771 2.491443 0.062522
H -2.984302 -2.307839 -2.488367
H -4.711088 -2.005707 -2.641058
H -4.280858 -2.727025 1.447576
H -4.311470 -3.736762 -0.779575
H 5.887808 -0.450188 -2.015516


