%chk=000090283.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090283

0 1
 S   -2.704200      -1.200000      -1.004600    
 S   -3.047700       1.562800      0.2342000    
 O   -2.169400     -0.4159000      -2.101600    
 O   -3.778400      -2.145400      -1.237400    
 O   -3.191300       2.000800      -1.147000    
 O   -3.933500       2.106200       1.253900    
 O    3.175400      -2.121600      0.9522000    
 O    3.174200       1.887200     -0.4280000    
 O    2.758700      -1.109400      -1.072700    
 O    1.776300       2.682600      -2.074900    
 N   -3.132200     -0.1480000      0.2726000    
 C   -1.339200      -2.080500     -0.3133000    
 C   -1.394200       1.874900      0.7002000    
 C  -5.6600001E-02  -1.584400     -0.4810000    
 C  -0.3983000       1.956900     -0.2732000    
 C   -1.573300      -3.253500      0.3857000    
 C   -1.069100       2.042100       2.046300    
 C    1.021600      -2.280500      6.5600000E-02
 C   0.9224000       2.206400      9.9699996E-02
 C  -0.4951000      -3.949400      0.9323000    
 C   0.2517000       2.291600       2.419100    
 C   0.8022000      -3.463100      0.7723000    
 C    1.247400       2.373700       1.445900    
 C    2.374600      -1.773900     -0.1012000    
 C    1.961100       2.291900     -0.9147000    
 C    4.535800      -1.678300      0.9047000    
 C    4.281100       1.927100      -1.335100    
 H   -3.750000     -0.5429000      0.9936000    
 H   0.1238000     -0.6757000      -1.044000    
 H  -0.6417000       1.826400      -1.324100    
 H   -2.576500      -3.644200      0.5261000    
 H   -1.827900       1.975900       2.820800    
 H  -0.6659000      -4.870800       1.481300    
 H   0.5044000       2.422700       3.467200    
 H    1.623200      -4.033300       1.198900    
 H    2.265400       2.580200       1.765600    
 H    5.027100      -2.055400      2.7000001E-03
 H    5.054500      -2.076400       1.780700    
 H    4.574300     -0.5857000      0.9378000    
 H    4.076800       1.306100      -2.212300    
 H    5.158600       1.528700     -0.8190000    
 H    4.484200       2.960000      -1.632100    


%chk=000090283-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090283

0 1
S -2.546226 -1.154540 -1.179377
S -3.291522 1.765020 0.335719
O -1.849272 -0.141149 -2.239482
O -3.714177 -2.212208 -1.590678
O -3.656057 2.425050 -1.094807
O -4.213978 2.053621 1.646224
O 3.477566 -2.747633 0.706054
O 3.141638 2.434178 -0.405453
O 2.912367 -0.798436 -0.437066
O 1.636054 1.922487 -2.111015
N -3.296635 -0.183495 0.326604
C -1.168396 -2.105278 -0.301913
C -1.487831 2.077503 0.787132
C 0.141429 -1.629549 -0.420112
C -0.525665 2.062556 -0.228559
C -1.528256 -3.272509 0.391618
C -1.215493 2.325510 2.142648
C 1.165055 -2.375251 0.220245
C 0.821164 2.288709 0.156483
C -0.493390 -4.003419 1.018726
C 0.129917 2.577162 2.497017
C 0.843120 -3.556485 0.937267
C 1.142047 2.550354 1.512741
C 2.568995 -1.873385 0.111723
C 1.867616 2.195356 -0.910422
C 4.900066 -2.333914 0.649686
C 4.249001 2.205780 -1.364504
H -4.321503 -0.423834 0.263204
H 0.387020 -0.737075 -1.006105
H -0.774531 1.870519 -1.278866
H -2.570331 -3.605850 0.422266
H -2.025702 2.327890 2.878898
H -0.733645 -4.919197 1.567270
H 0.383315 2.784514 3.541276
H 1.648515 -4.116910 1.419078
H 2.187506 2.725559 1.779770
H 5.236582 -2.278529 -0.399117
H 5.441292 -3.117258 1.197513
H 5.029767 -1.348722 1.128107
H 4.275151 1.135949 -1.628587
H 5.156605 2.510560 -0.824752
H 4.101123 2.812245 -2.273253


