%chk=000102237.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102237

0 1
 S    2.723400     -0.2048000      0.5527000    
 F    1.873600      -3.223600      0.3763000    
 F   0.7948000      -3.015000      -1.496800    
 F   0.3002000      -1.379200       1.554200    
 F  -0.7396000      -3.105900      0.7456000    
 F    3.186400      -1.777400      -1.461400    
 F    1.484200     -0.4536000      -1.706800    
 F   -1.417600      -1.539500      -1.518400    
 F  -0.4048000      0.1425000     -0.5818000    
 F   -1.941500     -8.0600001E-02   1.620100    
 F   -2.979200      -1.801900      0.7819000    
 F   -3.655000     -0.2392000      -1.454800    
 F   -2.639900       1.451500     -0.5287000    
 F   -5.224500     -0.4840000      0.8466000    
 F   -4.181500       1.234400       1.679500    
 F   -4.950400       2.782100     -0.4372000    
 F   -6.602700       1.809000      0.6018000    
 F   -5.973000       1.080800      -1.347600    
 O    3.110000      -1.076700       1.646200    
 O    1.753700      0.8518000      0.7719000    
 O    6.489900       1.316800       1.273500    
 N    4.147000      0.4756000     -0.1249000    
 C    1.169500      -2.329300     -0.3786000    
 C  -9.6500002E-02  -1.967600      0.3881000    
 C    2.136700      -1.230500     -0.7952000    
 C   -1.061800      -1.022400     -0.3151000    
 C   -2.330800     -0.6567000      0.4472000    
 C   -3.295200      0.2880000     -0.2560000    
 C    4.037100       1.297600      -1.354300    
 C    5.394800     -0.3252000     -9.1600001E-02
 C    4.600800       2.693900      -1.112700    
 C   -4.560900      0.6516000      0.5067000    
 C    3.849100       3.449400     -1.4100000E-02
 C    6.136300     -5.8899999E-02   1.205700    
 C   -5.522900       1.587200     -0.1818000    
 C    4.390400       4.860100      0.1595000    
 H    4.540800      0.8164000      -2.199900    
 H    2.987400       1.400000      -1.648900    
 H    6.048100     -5.9900001E-02 -0.9307000    
 H    5.171700      -1.392200     -0.1880000    
 H    5.665200       2.633200     -0.8601000    
 H    4.533900       3.260700      -2.049500    
 H    3.935800       2.922700      0.9426000    
 H    2.782800       3.503600     -0.2621000    
 H    5.531700     -0.3002000       2.084000    
 H    7.055100     -0.6526000       1.241800    
 H    4.288300       5.436400     -0.7655000    
 H    3.839900       5.382900      0.9479000    
 H    5.448700       4.841800      0.4387000    
 H    6.970100       1.447300       2.108900    


%chk=000102237-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102237

0 1
S 2.735316 0.314877 0.702848
F 1.682321 -2.960518 0.634509
F 0.559225 -3.029202 -1.347422
F -0.044410 -1.101726 1.685286
F -1.014977 -3.019394 0.890869
F 2.944684 -1.592253 -1.403064
F 1.156184 -0.200209 -1.669251
F -1.530395 -1.320956 -1.610687
F -1.116686 0.421564 -0.184711
F -2.889962 -1.115438 1.741229
F -3.517891 -2.284239 -0.127529
F -3.680108 0.466703 -1.417569
F -3.649767 1.227599 0.739658
F -5.862822 -0.992933 -1.057382
F -5.671105 -1.010473 1.223098
F -6.316674 1.633849 1.409241
F -7.738128 0.618213 -0.029497
F -6.091972 1.961635 -0.831125
O 3.056103 -0.533024 2.043569
O 1.771617 1.610054 0.675671
O 7.149429 1.309036 0.953198
N 4.321635 0.753746 -0.034374
C 0.910735 -2.176565 -0.258665
C -0.414218 -1.794940 0.511220
C 1.820892 -1.032254 -0.757077
C -1.498400 -0.936340 -0.252175
C -2.960434 -1.069974 0.332292
C -3.930742 0.107685 -0.074250
C 4.251493 1.528951 -1.303639
C 5.418262 -0.216480 0.220540
C 5.277626 2.684820 -1.307419
C -5.464862 -0.233197 0.060639
C 4.970877 3.781563 -0.267370
C 6.315179 0.183533 1.396766
C -6.412727 1.022106 0.157894
C 6.009070 4.922668 -0.307506
H 4.420708 0.850876 -2.165490
H 3.232128 1.950613 -1.385629
H 6.026261 -0.284227 -0.700613
H 5.007189 -1.222377 0.428712
H 6.290714 2.282918 -1.122291
H 5.269578 3.114534 -2.330764
H 4.960341 3.320561 0.737673
H 3.954705 4.189482 -0.441074
H 5.685731 0.447701 2.268719
H 6.950171 -0.689477 1.660778
H 6.028317 5.414144 -1.298937
H 5.783345 5.697931 0.447275
H 7.025357 4.534979 -0.104896
H 7.620687 1.704255 1.727622


