%chk=000036552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036552

0 1
 S   0.3360000      0.4665000      -2.163500    
 S   -3.874100      -2.448200      -1.749400    
 O   -1.462500       3.333400     -8.0300003E-02
 O   -1.043500       1.172100       2.220900    
 O    4.734000     -0.3281000     -0.6995000    
 O    2.042500      0.7718000       2.828900    
 O   -3.694100       1.378100       1.045600    
 O    1.808900      -1.463800       2.406400    
 O    6.175700      -2.032900     -0.1381000    
 N   0.4905000      0.9201000      0.4481000    
 N   -2.277900       1.143900     -0.7766000    
 N    6.943700     -0.1165000      -1.150400    
 C   -1.163100       1.930400     -0.2292000    
 C   0.2458000       1.637600     -0.7899000    
 C  -0.6260000       1.318200       1.096000    
 C    1.579600      0.1390000      0.6659000    
 C    2.375700     -0.2645000     -0.3528000    
 C    2.074200      2.8300000E-02  -1.820900    
 C    3.645200      -1.064400     -0.1839000    
 C   -3.460300      0.9363000     -7.8299999E-02
 C    1.818000     -0.3033000       2.047800    
 C   -1.527900       4.074100      -1.289200    
 C   -4.474300      0.1104000     -0.8444000    
 C   -4.280400      -1.341600     -0.5073000    
 C   -4.386000      -1.958100      0.7201000    
 C    5.968400     -0.9243000     -0.6198000    
 C   -4.129700      -3.357300      0.6397000    
 C   -3.838100      -3.756900     -0.6459000    
 H   0.8969000       2.513600     -0.8942000    
 H   -2.190800      0.7325000      -1.702800    
 H    2.717500      0.8420000      -2.173000    
 H    2.290400     -0.8566000      -2.428700    
 H    3.849400      -1.298000      0.8652000    
 H    3.547500      -2.014400     -0.7243000    
 H   -1.875400       5.083700      -1.054200    
 H   -2.235500       3.617800      -1.987400    
 H  -0.5404000       4.148300      -1.751700    
 H   -5.478800      0.4315000     -0.5452000    
 H   -4.382300      0.3065000      -1.918700    
 H    2.206700      0.5215000       3.763100    
 H   -4.636600      -1.436300       1.634900    
 H   -4.158000      -4.036300       1.481900    
 H   -3.605800      -4.754800     -0.9898000    
 H    7.915900     -0.4057000      -1.171300    
 H    6.722100      0.7944000      -1.538000    


%chk=000036552-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036552

0 1
S 0.258338 -0.240223 -1.409926
S -4.147758 -1.261861 -2.686925
O -1.539830 3.304539 -0.215944
O -0.984092 1.762254 2.623768
O 4.854984 -0.596557 -0.123204
O 1.897756 2.393838 2.993733
O -4.232394 2.241569 0.445957
O 2.878493 0.336043 3.449546
O 4.500849 -2.777199 -0.970262
N 0.630367 1.381371 0.830045
N -2.364132 0.997663 -0.271910
N 6.259242 -1.409188 -1.713313
C -1.276075 1.925143 0.015865
C 0.134749 1.449381 -0.559256
C -0.609339 1.736068 1.447136
C 1.806549 0.747410 1.276726
C 2.503503 -0.123190 0.463417
C 2.091690 -0.460375 -0.959250
C 3.780897 -0.811736 0.896339
C -3.708208 1.162133 0.063534
C 2.247015 1.087313 2.667515
C -2.136972 3.628261 -1.527846
C -4.561762 -0.130988 -0.061215
C -3.997216 -1.260090 -0.877309
C -3.320115 -2.397120 -0.451573
C 5.157070 -1.704305 -0.947370
C -2.908157 -3.278295 -1.518709
C -3.269129 -2.824120 -2.775581
H 0.644925 2.205724 -1.174658
H -2.085781 0.050631 -0.565424
H 2.674393 0.142799 -1.677981
H 2.310804 -1.522847 -1.165974
H 4.183156 -0.421022 1.838953
H 3.614317 -1.902461 0.987437
H -2.055473 4.722427 -1.606630
H -3.198623 3.330496 -1.543883
H -1.584621 3.146278 -2.359380
H -4.722761 -0.482662 0.976393
H -5.550085 0.195246 -0.429465
H 2.110299 2.569897 3.949431
H -3.128856 -2.602318 0.605614
H -2.366423 -4.212777 -1.355718
H -3.092482 -3.277386 -3.749326
H 6.597112 -2.105706 -2.371603
H 6.746875 -0.524060 -1.595976


