%chk=000216977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216977

0 1
I 0.594495 0.793780 2.782045
I -1.791935 -1.005555 -2.673417
I 3.947414 -0.157893 -2.203561
O 2.843962 0.518063 1.213574
O -3.845730 0.623211 0.865494
O -4.074482 5.053271 -1.423699
O -1.870293 4.727046 -1.232952
N -1.759494 -0.231892 0.602054
C -2.073811 -1.401599 1.482168
C -0.447848 -0.194090 0.016090
C -2.442806 -2.643865 0.659437
C -2.738063 0.764972 0.382058
C -2.298967 1.984366 -0.399159
C 0.661112 0.154593 0.784202
C -0.238743 -0.512334 -1.347266
C 1.976983 0.150186 0.240821
C -2.779312 -3.814704 1.577227
C -3.450903 2.979960 -0.511896
C 1.042131 -0.498212 -1.888487
C 2.160865 -0.169839 -1.110311
C 4.300033 0.434920 1.093580
C 4.741433 -1.012196 1.279149
C -2.983480 4.287056 -1.070378
C 6.261808 -1.113169 1.314495
H -2.926449 -1.108334 2.142579
H -1.201610 -1.605141 2.142549
H -1.613249 -2.918960 -0.021332
H -3.306807 -2.415034 0.001306
H -1.940066 1.698225 -1.415068
H -1.420519 2.463412 0.095666
H -1.935734 -4.085682 2.222034
H -3.633822 -3.588385 2.226631
H -3.043666 -4.705027 0.994121
H -4.279492 2.561724 -1.130629
H -3.929839 3.144804 0.485286
H 1.181941 -0.748362 -2.951645
H 4.640732 0.901464 0.155728
H 4.578927 1.078703 1.952775
H 4.303451 -1.416644 2.215134
H 4.335806 -1.647354 0.464004
H 6.713332 -0.760297 0.379107
H 6.693083 -0.527639 2.134916
H 6.581968 -2.153094 1.456081
H -3.818057 5.941346 -1.788711


%chk=000216977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216977

0 1
I 0.857525 0.994952 2.490271
I -1.771380 -0.843352 -2.820188
I 4.047481 0.859040 -2.776836
O 3.347231 1.073455 0.482680
O -3.508052 0.473348 1.148645
O -4.564026 4.657489 -1.593393
O -2.538360 4.940936 -0.497875
N -1.403392 -0.211055 0.458552
C -1.536488 -1.444356 1.294147
C -0.178856 0.002439 -0.257707
C -2.304340 -2.594676 0.607495
C -2.450453 0.724001 0.495746
C -2.233745 2.063376 -0.212953
C 0.995533 0.437756 0.427149
C -0.069230 -0.238602 -1.657763
C 2.249957 0.596832 -0.231307
C -2.466956 -3.791423 1.569481
C -3.578084 2.694496 -0.612451
C 1.144564 -0.032288 -2.345819
C 2.289183 0.387748 -1.638933
C 4.491822 0.132077 0.721235
C 4.243960 -0.809356 1.907749
C -3.459410 4.179840 -0.870794
C 5.454968 -1.747246 2.118563
H -2.069554 -1.153041 2.216863
H -0.518510 -1.774697 1.571147
H -1.770128 -2.911695 -0.307741
H -3.296427 -2.222181 0.295159
H -1.570973 1.962950 -1.088182
H -1.712359 2.741126 0.492880
H -1.485139 -4.184864 1.896009
H -3.032434 -3.498838 2.473984
H -3.015311 -4.617635 1.082869
H -4.015844 2.205757 -1.500146
H -4.305847 2.537278 0.208705
H 1.193059 -0.180337 -3.426519
H 4.698354 -0.443152 -0.201724
H 5.341126 0.808215 0.914902
H 4.058007 -0.211260 2.817615
H 3.332088 -1.409459 1.723373
H 5.634853 -2.381386 1.230211
H 6.379052 -1.172868 2.317663
H 5.283844 -2.415786 2.980446
H -4.473010 5.642241 -1.711408


