%chk=000135896.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000135896

1 1
O -2.019450 -0.426848 -0.263577
O 6.471676 0.508203 0.341984
O -2.206421 -0.087700 1.996703
O 8.155430 2.686340 -0.466504
O 8.130456 -1.778414 0.830321
O 6.354927 -0.152614 -1.864961
N -6.894046 0.249135 -0.014188
N 7.854235 0.482557 0.275012
C -6.208269 1.310284 0.578477
C -6.254966 -0.946987 -0.330840
C -4.811255 1.165537 0.882559
C -4.850980 -1.093274 -0.053281
C -4.156492 -0.035350 0.553938
C -6.872643 2.542604 0.893335
C -6.966591 -2.039537 -0.931800
C -4.135393 2.268849 1.523832
C -4.211124 -2.337406 -0.415927
C -8.341562 0.418477 -0.305509
C -2.690340 -0.178759 0.902628
C -6.183709 3.565575 1.491056
C -6.318301 -3.203281 -1.246715
C -4.796685 3.425835 1.815951
C -4.917095 -3.353461 -0.988865
C 10.066177 1.176721 -0.050403
C 10.057851 -0.300836 0.378191
C 3.591902 -0.995185 -0.918567
C 2.113409 -0.836739 -0.701858
C 4.334992 0.285533 -0.519346
C 8.618180 1.629902 -0.142499
C 8.604859 -0.717196 0.538939
C -0.601628 -0.545234 -0.303797
C 1.545138 -1.153542 0.542054
C 1.296529 -0.363281 -1.745086
C 5.795788 0.159692 -0.853165
C 0.170597 -1.011243 0.757499
C -0.076374 -0.207699 -1.556326
H -7.931290 2.675381 0.659876
H -8.038368 -1.936174 -1.138003
H -3.075207 2.152175 1.786939
H -3.132757 -2.438400 -0.232113
H -8.792037 -0.488080 -0.762505
H -8.912495 0.621893 0.623692
H -8.507772 1.250474 -1.020127
H 10.620774 1.815709 0.666890
H 10.569041 1.321909 -1.029210
H 10.555846 -0.952450 -0.369714
H 10.608307 -0.462572 1.327499
H -6.686340 4.510253 1.733757
H -6.860346 -4.040273 -1.704192
H -4.283733 4.262515 2.304178
H -4.430807 -4.296376 -1.263535
H 3.813641 -1.244790 -1.981445
H 3.985210 -1.859406 -0.338231
H 3.925562 1.170346 -1.057419
H 4.191780 0.504636 0.563797
H 2.178465 -1.515748 1.355370
H 1.738569 -0.112877 -2.712097
H -0.266528 -1.246653 1.729210
H -0.723536 0.157153 -2.351982


%chk=000135896-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135896

1 1
O -2.038827 -0.671537 -0.101882
O 6.513085 0.975577 0.082953
O -2.527620 -0.732187 2.205229
O 7.927079 1.770245 -2.312896
O 8.436316 0.086543 2.058474
O 6.558640 -1.219129 -0.802344
N -6.855569 0.572720 -0.266792
N 7.928118 0.982651 -0.077342
C -6.179134 1.373719 0.660999
C -6.350491 -0.666674 -0.675521
C -4.842154 0.996780 1.091916
C -5.009302 -1.058751 -0.272923
C -4.258191 -0.196544 0.575413
C -6.774745 2.558874 1.190467
C -7.126313 -1.557838 -1.477645
C -4.145846 1.857383 2.013351
C -4.496589 -2.326618 -0.723304
C -8.145943 1.055161 -0.836015
C -2.858146 -0.571856 1.010257
C -6.066534 3.358905 2.091029
C -6.591823 -2.783551 -1.883551
C -4.739041 3.017608 2.497175
C -5.266389 -3.171636 -1.514137
C 10.046190 1.295494 -1.040908
C 10.213687 0.738796 0.401000
C 3.674966 -1.474677 -0.444609
C 2.170183 -1.305666 -0.321411
C 4.407888 -0.132526 -0.183539
C 8.539480 1.403622 -1.291799
C 8.800474 0.536733 0.955845
C -0.611933 -0.902630 -0.070749
C 1.517473 -1.467856 0.927256
C 1.385363 -0.944063 -1.449351
C 5.904745 -0.269167 -0.362246
C 0.126687 -1.271762 1.076085
C -0.003030 -0.741548 -1.332927
H -7.797294 2.840328 0.935618
H -8.155740 -1.321987 -1.750870
H -3.147448 1.572215 2.352282
H -3.487025 -2.622821 -0.429450
H -8.269549 0.662371 -1.853193
H -8.998016 0.741547 -0.208860
H -8.126379 2.149929 -0.914824
H 10.500780 2.292181 -1.172389
H 10.482786 0.634742 -1.808585
H 10.741831 -0.229139 0.427809
H 10.761700 1.427213 1.066557
H -6.543086 4.256198 2.498378
H -7.206392 -3.462560 -2.483086
H -4.202475 3.660431 3.200246
H -4.869635 -4.135873 -1.843270
H 3.947257 -1.838599 -1.451087
H 4.042291 -2.227972 0.275038
H 4.053975 0.652702 -0.879206
H 4.205192 0.247410 0.834489
H 2.102283 -1.761427 1.806559
H 1.863969 -0.825645 -2.427889
H -0.352821 -1.404137 2.046273
H -0.614153 -0.462396 -2.196197


