%chk=000090656.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090656

0 1
 S    3.191200     -0.2125000     -0.9179000    
 F  -0.2966000      -3.104400     -0.1311000    
 F   0.5312000      -1.624400      -1.487600    
 F    1.382500      -2.438100       1.819000    
 F    2.329200      -3.027900     -4.4399999E-02
 F  -7.9700001E-02  0.3666000      0.4363000    
 F  -0.9437000      -1.191500       1.684700    
 F    1.923400      0.1973000       1.311400    
 F    3.601400      -1.172100       1.451700    
 F   -2.606600      -1.941800     -0.2982000    
 F   -1.769500     -0.4404000      -1.635200    
 F   -2.387300       1.528300      0.2738000    
 F   -3.251700     -2.4100000E-02   1.534600    
 F   -4.094400      0.7231000      -1.789400    
 F   -4.924200     -0.7771000     -0.4494000    
 F   -5.636300       1.156900       1.345100    
 F   -6.415600       1.477400     -0.6666000    
 F   -4.775600       2.702900      6.5300003E-02
 O    4.047600      -1.241100      -1.477800    
 O    2.074000      0.3032000      -1.686700    
 N    4.162800       1.113400     -0.4209000    
 C   0.3026000      -1.878800     -0.1761000    
 C    1.637400      -2.011500      0.5467000    
 C  -0.6709000     -0.8544000      0.3917000    
 C    2.559400     -0.8053000      0.6516000    
 C   -2.008400     -0.7169000     -0.3273000    
 C   -2.981000      0.3071000      0.2406000    
 C   -4.315200      0.4425000     -0.4787000    
 C    5.539100      0.8373000      5.7300001E-02
 C    3.527400       2.238000      0.3079000    
 C   -5.285800       1.454800      7.6600000E-02
 C    6.500800      0.8558000      -1.113600    
 C    4.269900       3.494900     -7.4000000E-03
 C    4.862400       4.262700      0.9141000    
 H    5.870800       1.548900      0.8194000    
 H    5.575700     -0.1435000      0.5431000    
 H    2.491000       2.364100     -2.2100000E-02
 H    3.518400       2.029400       1.383500    
 H    6.245400      0.1058000      -1.867400    
 H    6.499000       1.833700      -1.606300    
 H    7.519700      0.6522000     -0.7696000    
 H    4.314600       3.805500      -1.048400    
 H    5.381500       5.169100      0.6223000    
 H    4.842200       4.003600       1.966800    


%chk=000090656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090656

0 1
S 2.994413 0.793081 -0.925605
F -0.365279 -2.892924 -0.233339
F 0.409632 -1.151940 -1.505996
F 1.194688 -2.196968 1.893479
F 2.318996 -2.485526 -0.069299
F -0.793388 0.685073 -0.034848
F -1.079770 -0.699182 1.766609
F 1.496212 0.662189 1.546665
F 3.423194 -0.556844 1.543713
F -2.956956 -2.150899 0.573768
F -2.394572 -1.430796 -1.527379
F -3.362265 1.015967 -1.133299
F -3.376791 0.805850 1.144876
F -5.179624 -1.437031 -1.054756
F -5.420991 -0.881339 1.152112
F -5.894842 1.897669 0.209118
F -7.403412 0.260987 -0.241061
F -6.040515 1.015040 -1.882951
O 3.289585 -0.279697 -2.096625
O 1.962083 2.025789 -1.087418
N 4.602514 1.469313 -0.388811
C 0.106746 -1.559310 -0.188247
C 1.459669 -1.599118 0.625569
C -1.060017 -0.646224 0.355752
C 2.239688 -0.279215 0.823624
C -2.495098 -1.044014 -0.173784
C -3.568001 0.109520 -0.069516
C -5.064876 -0.385203 -0.117745
C 5.732887 0.496220 -0.390690
C 4.497808 2.497494 0.686412
C -6.113023 0.721092 -0.520046
C 6.857572 0.949469 -1.341622
C 5.571718 3.550572 0.498839
C 6.467044 3.890128 1.458718
H 6.101978 0.375480 0.646337
H 5.351972 -0.484736 -0.729834
H 3.500858 2.971013 0.590931
H 4.579378 2.035950 1.691770
H 6.476230 1.035744 -2.372775
H 7.273984 1.922271 -1.034161
H 7.670934 0.200172 -1.329036
H 5.563443 4.063984 -0.471969
H 7.193130 4.694949 1.301734
H 6.491164 3.384648 2.432187


