%chk=000299280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299280

0 1
I 0.825441 -0.931010 -1.369369
I -1.975149 -0.952979 -2.424730
O 0.006530 1.659771 -0.057822
O 1.344827 3.157533 -1.140872
O -1.358359 2.438300 -1.724002
C 3.472663 -0.849469 0.262586
C -3.598047 -1.056586 0.194320
C 3.605975 -2.321315 -0.018681
C -4.134544 -2.371457 -0.300457
C 2.408871 -0.084840 -0.223703
C -2.668532 -0.290937 -0.515035
C 2.330610 1.283265 0.054555
C -2.184572 0.916840 -0.003181
C 4.451121 -0.217928 1.055950
C -4.039445 -0.576698 1.445148
C 3.311796 1.905572 0.838533
C -2.626956 1.376838 1.242319
C 2.881081 -3.148777 1.041567
C -3.224322 -3.523435 0.121722
C 4.370259 1.144363 1.343284
C -3.561794 0.625009 1.962766
C 1.252530 2.154046 -0.499041
C -1.201972 1.765117 -0.750473
H 3.203231 -2.565162 -1.027970
H 4.675924 -2.611723 -0.058861
H -5.160595 -2.540596 0.088543
H -4.250052 -2.363724 -1.407567
H 5.280346 -0.805477 1.451096
H -4.761613 -1.163190 2.015099
H 3.253016 2.974738 1.046597
H -2.237147 2.311343 1.649762
H 1.807903 -2.912378 1.065140
H 3.279834 -2.960790 2.044717
H 2.976478 -4.221054 0.838619
H -2.207104 -3.400343 -0.276024
H -3.605548 -4.482689 -0.246544
H -3.140312 -3.594941 1.212391
H 5.134526 1.619691 1.958128
H -3.910698 0.980872 2.933189


%chk=000299280-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299280

0 1
I 1.902543 -1.720146 -1.164695
I -3.566035 -0.742630 -2.795617
O 0.153260 0.721048 -0.131355
O 0.986207 2.790068 -0.847387
O -1.082115 1.059175 -2.100150
C 4.316327 -0.561288 0.401266
C -4.414198 -0.922139 0.175660
C 4.893269 -1.969052 0.367464
C -5.676794 -1.605125 -0.330699
C 3.029841 -0.207511 -0.098148
C -3.357965 -0.458200 -0.659913
C 2.542440 1.128230 0.009059
C -2.183169 0.134632 -0.098796
C 5.100848 0.464541 0.996343
C -4.266281 -0.769158 1.581236
C 3.380114 2.126243 0.581201
C -2.074824 0.241910 1.316320
C 4.411632 -2.830007 1.566088
C -5.496444 -3.138903 -0.488259
C 4.651314 1.797171 1.078782
C -3.112127 -0.200237 2.152871
C 1.203439 1.641402 -0.423284
C -1.068952 0.695007 -0.917461
H 4.621624 -2.477360 -0.575227
H 5.996854 -1.903471 0.391846
H -6.495490 -1.412896 0.387917
H -5.989270 -1.174483 -1.298443
H 6.091237 0.197974 1.384118
H -5.082835 -1.114094 2.226834
H 3.001426 3.152493 0.620108
H -1.166177 0.681292 1.733697
H 3.313330 -2.943222 1.556774
H 4.700357 -2.366197 2.526703
H 4.860494 -3.838717 1.521016
H -4.705075 -3.371757 -1.222082
H -6.435945 -3.603094 -0.838885
H -5.219374 -3.605335 0.474546
H 5.286453 2.569842 1.523082
H -3.023740 -0.100207 3.239172


