%chk=000278587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278587

0 1
O 5.141302 2.786350 -2.503074
O 4.327676 0.777689 -3.078522
O 3.557967 2.368035 1.417463
O 6.892718 -3.215524 -1.388601
O 8.294828 -1.472123 -1.335841
O -6.658748 1.086197 1.946052
N 3.662681 0.745932 -0.180087
N -1.727824 -0.920954 2.910324
N 1.369294 -0.424690 0.917995
N -4.366687 -0.561160 1.389995
N -5.562869 0.432023 -1.960741
N -3.687275 -0.894422 -1.343136
N -7.035249 1.394754 -0.289812
N -7.350696 1.907056 -2.578948
C 4.938656 1.245526 -0.715216
C 6.103229 0.260065 -0.514383
C 5.866432 -1.116170 -1.138109
C 4.741237 1.511326 -2.212530
C 3.059653 1.372136 0.914442
C 1.776611 0.774705 1.414649
C -2.476821 -1.924397 2.119429
C -0.588784 -0.307275 2.357747
C 7.154308 -1.866031 -1.286894
C -3.297090 -1.296487 1.012440
C 1.044771 1.478379 2.393206
C -0.147460 0.938048 2.861994
C 0.221126 -0.952791 1.374008
C -5.113067 0.021250 0.425445
C -4.777607 -0.150188 -0.952625
C -2.955147 -1.456971 -0.362828
C -6.309361 0.865393 0.820228
C -6.677980 1.232540 -1.548777
H 5.195364 2.226354 -0.197367
H 6.291305 0.151456 0.576465
H 7.037249 0.709398 -0.925377
H 5.143678 -1.712649 -0.536731
H 5.386442 -1.028908 -2.147160
H 3.278639 -0.109021 -0.587661
H -3.157712 -2.462899 2.830320
H -1.781760 -2.695488 1.715321
H -2.351978 -0.296345 3.436622
H 1.422535 2.436343 2.766492
H -0.728302 1.469074 3.615895
H -0.060001 -1.926610 0.961712
H -2.080166 -2.042576 -0.678751
H -5.251984 0.364035 -2.932868
H 5.043304 3.018668 -3.467644
H 7.716548 -3.758861 -1.511138
H -7.455180 1.447549 -3.473304
H -8.182606 2.423859 -2.287620


%chk=000278587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278587

0 1
O 5.813490 1.613861 -3.371398
O 3.959901 0.219030 -3.266271
O 3.740896 2.153775 1.277495
O 7.620244 -2.682815 -0.061182
O 8.311589 -0.628607 0.770077
O -6.184174 1.266614 2.429172
N 3.614193 0.744022 -0.581435
N -1.665626 -1.278375 2.334547
N 1.314578 -0.363185 0.291261
N -4.302329 -0.581179 1.263460
N -6.135313 0.696002 -1.653174
N -4.394881 -0.890595 -1.568179
N -7.034294 1.781288 0.308607
N -7.876544 2.288087 -1.805273
C 4.821903 1.283366 -1.200491
C 6.137208 0.754093 -0.543963
C 6.269100 -0.775872 -0.631412
C 4.780141 0.968677 -2.690646
C 3.146468 1.236888 0.619228
C 1.870766 0.600411 1.087295
C -2.470554 -2.183923 1.506711
C -0.509374 -0.632024 1.907462
C 7.491683 -1.291858 0.099334
C -3.457124 -1.435850 0.613483
C 1.272556 1.000696 2.307641
C 0.082437 0.385557 2.719640
C 0.162202 -0.955421 0.683709
C -5.195215 0.127071 0.522483
C -5.222773 -0.040845 -0.899881
C -3.512966 -1.587200 -0.797841
C -6.160337 1.090169 1.183738
C -7.005432 1.585654 -1.005228
H 4.830971 2.383929 -1.072428
H 6.123531 1.076291 0.510893
H 6.997802 1.247097 -1.028257
H 5.378380 -1.269199 -0.195557
H 6.327909 -1.131909 -1.678438
H 3.035443 0.049722 -1.072566
H -3.045405 -2.837485 2.187979
H -1.815593 -2.838976 0.908144
H -2.169166 -0.854717 3.117165
H 1.757945 1.783845 2.896785
H -0.398095 0.678386 3.660564
H -0.238243 -1.711795 0.000691
H -2.840605 -2.271004 -1.326225
H -6.123684 0.553385 -2.667292
H 5.770043 1.382386 -4.338606
H 8.424660 -2.993024 0.437306
H -7.909793 2.203709 -2.817968
H -8.503318 2.933449 -1.328660


