%chk=000198101.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198101

0 1
I 0.950466 -2.351834 -0.961829
I 2.322774 3.492607 -0.434042
I -3.535974 1.670235 -0.419651
O -5.349187 -1.904460 -1.336507
O 5.210723 -1.910179 -1.338587
O -2.527249 -1.383617 -1.995324
O 3.288841 0.217994 -1.767272
O -5.975266 -3.572256 1.793762
O 6.316922 -2.370229 2.060834
O 0.026924 3.767659 2.036158
N -2.527543 -1.853124 0.233716
N 3.419031 0.088719 0.505931
N -0.961769 3.619773 -0.029069
C -3.568420 -2.893434 0.058030
C 4.858320 -0.262520 0.453938
C -4.982150 -2.277065 -0.004503
C 5.062668 -1.746084 0.074700
C -1.052136 -0.067110 -0.648439
C 1.263976 0.657193 -0.565261
C -2.088496 -1.148281 -0.878479
C 2.737130 0.314915 -0.680221
C 0.312297 -0.362566 -0.685215
C -0.523022 2.286589 -0.287829
C 0.850655 1.979248 -0.397317
C -1.466977 1.251205 -0.447638
C -6.059181 -3.310040 0.388524
C 6.394426 -2.288909 0.633249
C -2.073759 -1.538173 1.604204
C 2.762117 0.179933 1.826807
C -0.590159 4.322043 1.153886
C -1.055227 5.744794 1.174748
H -3.363082 -3.459711 -0.884992
H -3.508896 -3.628379 0.893836
H 5.369531 0.386938 -0.299596
H 5.333092 -0.050856 1.439561
H -5.052808 -1.362264 0.627051
H 4.201199 -2.370131 0.404207
H -5.887476 -4.299160 -0.075295
H -7.066434 -2.954514 0.108776
H 7.239639 -1.598418 0.453998
H 6.636038 -3.271833 0.192224
H -2.204627 -0.465498 1.835573
H -1.007824 -1.803507 1.728855
H -2.650932 -2.108657 2.351631
H 1.906206 -0.513497 1.893455
H 2.402897 1.210715 2.017403
H 3.465519 -0.080146 2.635724
H -1.674003 3.996288 -0.663388
H -4.550722 -1.619021 -1.862955
H 4.566427 -1.325050 -1.831977
H -6.370716 -2.837379 2.303486
H 5.766821 -3.132214 2.330850
H -0.651807 6.327132 0.332379
H -0.709606 6.240005 2.099082
H -2.149894 5.836129 1.154008


%chk=000198101-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198101

0 1
I 0.699205 -2.574945 -0.548898
I 2.418297 3.336572 -0.411822
I -3.548189 1.878102 -0.191533
O -5.219348 -2.388019 -1.728513
O 5.418891 -1.626564 -1.590962
O -2.715414 -1.327699 -1.807678
O 3.142543 -0.157153 -1.713480
O -6.407285 -3.358866 1.651900
O 6.750061 -2.226087 1.822055
O -0.095253 3.772924 2.139787
N -2.764036 -1.813078 0.469121
N 3.453346 -0.032129 0.592998
N -0.825768 3.635202 -0.071700
C -3.771464 -2.888333 0.254068
C 4.918053 -0.257776 0.447725
C -5.148014 -2.399957 -0.273286
C 5.324944 -1.636714 -0.137598
C -1.175270 -0.113763 -0.412753
C 1.231388 0.477850 -0.387096
C -2.276075 -1.138513 -0.620683
C 2.685410 0.067464 -0.539591
C 0.192374 -0.484981 -0.436148
C -0.481287 2.261950 -0.231360
C 0.876052 1.848374 -0.317082
C -1.488974 1.262697 -0.299422
C -6.261077 -3.362070 0.185700
C 6.730740 -2.024138 0.362514
C -2.319876 -1.582287 1.856154
C 2.946289 0.192648 1.960751
C -0.614518 4.328261 1.133567
C -1.025176 5.793512 1.102497
H -3.370585 -3.630063 -0.463932
H -3.925125 -3.376708 1.232072
H 5.345350 0.531845 -0.201544
H 5.352038 -0.167996 1.458915
H -5.341586 -1.383475 0.146089
H 4.586960 -2.397969 0.211923
H -6.002788 -4.400660 -0.078728
H -7.202222 -3.091238 -0.329641
H 7.443862 -1.205133 0.172848
H 7.070027 -2.921541 -0.188944
H -1.644861 -0.715464 1.909706
H -1.786173 -2.469992 2.244012
H -3.194724 -1.384158 2.500975
H 1.848210 0.252020 1.965283
H 3.345487 1.138067 2.372738
H 3.259139 -0.640926 2.614274
H -1.353817 4.094037 -0.817770
H -4.349020 -2.009711 -2.060093
H 4.624551 -1.111144 -1.930609
H -6.860340 -2.523262 1.928189
H 6.312241 -3.088462 2.032978
H -0.130455 6.412068 0.903564
H -1.415449 6.077048 2.092181
H -1.781994 6.020329 0.331482


