%chk=000088978.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088978

0 1
 S   0.4809000      0.3313000     -0.6308000    
 S    4.919300     -0.4938000      0.1902000    
 O   0.8829000      -1.054100     -0.8190000    
 O   0.7182000       1.305600      -1.685500    
 O    3.311800     -0.2958000      0.4096000    
 O   -3.861600      -2.092500      0.4378000    
 O    5.057000      -2.062000     -0.2374000    
 O    5.305500      0.3073000     -0.9565000    
 O    5.593600     -0.3174000       1.462900    
 N   -5.310200      0.3002000      0.7417000    
 C   -1.221600      0.3438000     -0.2260000    
 C    1.283300      0.9423000      0.8330000    
 C   -1.920900       1.541900     -8.0300003E-02
 C    2.788900       1.001800      0.6638000    
 C   -1.879500     -0.8735000     -5.0099999E-02
 C   -3.278200       1.522600      0.2408000    
 C   -3.236700     -0.8928000      0.2711000    
 C   -3.936200      0.3052000      0.4165000    
 C   -1.246500       2.862300     -0.2621000    
 C   -4.449900      -2.682400     -0.7195000    
 H   0.9207000       1.930700       1.092600    
 H    1.024700      0.2443000       1.636700    
 H    3.054400       1.664700     -0.1668000    
 H    3.246300       1.393800       1.578700    
 H   -1.357200      -1.820500     -0.1544000    
 H   -3.828700       2.453500      0.3567000    
 H  -0.5329000       3.087900      0.5272000    
 H  -0.8035000       2.978300      -1.252300    
 H   -1.988100       3.670500     -0.2044000    
 H   -5.809700       1.173100      0.8478000    
 H   -5.790900     -0.5778000      0.8856000    
 H   -4.939300      -3.612700     -0.4184000    
 H   -3.679900      -2.916800      -1.461400    
 H   -5.201500      -2.017900      -1.157100    
 H    4.561400      -2.698400      0.3296000    


%chk=000088978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088978

0 1
S 0.591693 0.557622 -0.448020
S 4.369533 -1.122469 -0.148081
O 0.891934 -1.059125 -0.746826
O 1.144090 1.663542 -1.512549
O 3.405878 -0.433700 1.363550
O -4.075498 -1.872426 -0.142391
O 3.147715 -2.153959 -0.835628
O 4.693706 0.154890 -1.081690
O 5.528673 -2.037663 0.453159
N -5.424504 0.400762 0.165892
C -1.267996 0.604026 -0.211805
C 1.404567 0.980697 1.277561
C -1.953628 1.833450 -0.069311
C 2.928161 0.941502 1.200436
C -1.901134 -0.659290 -0.251198
C -3.360887 1.740397 0.060248
C -3.293055 -0.708064 -0.122357
C -4.052601 0.500989 0.042769
C -1.277429 3.194508 -0.038080
C -3.378993 -3.148621 -0.346905
H 1.014595 1.990342 1.487717
H 0.988224 0.225442 1.961813
H 3.310702 1.397119 0.260313
H 3.336829 1.529651 2.046293
H -1.287363 -1.551860 -0.401768
H -3.937200 2.666103 0.173899
H -0.857417 3.415441 0.963503
H -0.457547 3.261107 -0.773113
H -2.006687 3.990487 -0.260605
H -6.008880 1.224509 0.271192
H -5.853699 -0.521095 0.126271
H -4.167511 -3.914467 -0.342132
H -2.661278 -3.342025 0.472401
H -2.850081 -3.157295 -1.318252
H 2.192987 -1.637826 -0.836009


