%chk=000248930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248930

0 1
O 4.730483 1.796890 -0.741501
O 3.619356 0.388520 -1.944905
N 4.015146 0.816669 -0.875117
C -0.764930 0.400855 -0.115461
C -0.081792 -0.930097 0.319841
C 1.408805 -0.828544 -0.031629
C 2.086045 0.342863 0.742356
C -2.296294 0.367798 0.206942
C -2.906050 -0.855683 -0.550384
C -0.063502 1.627880 0.507588
C 1.455046 1.656529 0.254620
C -0.735696 -2.135181 -0.379089
C 3.604109 0.109270 0.405216
C 2.326804 -2.031110 0.238857
C -2.245688 -2.175949 -0.118049
C -2.971750 1.649524 -0.353751
C 3.750574 -1.426498 0.263821
C -4.435072 -0.919910 -0.382695
C 1.963517 0.235717 2.270618
C -2.533170 0.279435 1.723578
C -4.501874 1.608734 -0.243572
C -5.091128 0.361052 -0.914438
H -0.659454 0.484404 -1.225954
H -0.202243 -1.055022 1.422758
H 1.485701 -0.601219 -1.130718
H -2.693022 -0.709430 -1.640088
H -0.257736 1.658601 1.597640
H -0.509699 2.554455 0.096785
H 1.639395 1.809932 -0.826876
H 1.906767 2.527210 0.764111
H -0.269080 -3.072968 -0.025000
H -0.543072 -2.095094 -1.468512
H 4.260102 0.510822 1.215852
H 2.230303 -2.800402 -0.544188
H 2.082966 -2.523095 1.194746
H -2.697048 -3.021875 -0.669428
H -2.444695 -2.373502 0.951738
H -2.683950 1.784346 -1.413628
H -2.591513 2.540167 0.179612
H 4.340333 -1.830354 1.103569
H 4.297388 -1.695824 -0.659339
H -4.697694 -1.066556 0.681989
H -4.837438 -1.798503 -0.919614
H 2.448173 1.079562 2.772867
H 0.909455 0.237586 2.580853
H 2.405508 -0.687912 2.658565
H -2.186365 1.181398 2.236966
H -3.599007 0.162588 1.951021
H -2.009301 -0.576514 2.162673
H -4.930449 2.519258 -0.703202
H -4.801232 1.636229 0.822003
H -6.183460 0.323175 -0.746889
H -4.952973 0.425175 -2.010959


%chk=000248930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248930

0 1
O 4.455398 1.994499 -0.907153
O 3.606693 0.254410 -2.106586
N 3.936467 0.818031 -0.994778
C -0.781334 0.394904 0.002886
C -0.082462 -0.950815 0.398532
C 1.417484 -0.852209 0.044717
C 2.136874 0.337476 0.753537
C -2.338152 0.370208 0.263488
C -2.923144 -0.855345 -0.532792
C -0.055399 1.621754 0.627839
C 1.464933 1.658061 0.311278
C -0.746230 -2.158026 -0.309751
C 3.636398 0.097557 0.323164
C 2.348173 -2.057672 0.309987
C -2.275926 -2.190693 -0.104370
C -2.993323 1.664126 -0.319888
C 3.784812 -1.449196 0.191603
C -4.469355 -0.909817 -0.504020
C 2.145725 0.224999 2.305494
C -2.650052 0.278477 1.783689
C -4.541584 1.634529 -0.321506
C -5.090930 0.391995 -1.060090
H -0.661429 0.486370 -1.103488
H -0.183411 -1.103418 1.494311
H 1.473012 -0.641679 -1.046699
H -2.633035 -0.686730 -1.597087
H -0.204808 1.633613 1.724395
H -0.507139 2.554816 0.243621
H 1.592847 1.796363 -0.781024
H 1.935657 2.530827 0.803811
H -0.291838 -3.100912 0.052965
H -0.528043 -2.097092 -1.397592
H 4.339800 0.561309 1.032740
H 2.198428 -2.874454 -0.416107
H 2.174148 -2.477341 1.319331
H -2.715988 -3.018795 -0.695926
H -2.513358 -2.406391 0.957267
H -2.636830 1.798764 -1.363898
H -2.652078 2.550871 0.249028
H 4.469176 -1.832568 0.967796
H 4.223826 -1.691619 -0.790948
H -4.828786 -1.087719 0.530215
H -4.810603 -1.778125 -1.103282
H 2.650592 1.106591 2.742301
H 1.124535 0.186117 2.718026
H 2.678678 -0.677574 2.654094
H -2.336427 1.202686 2.303014
H -3.730386 0.152639 1.969980
H -2.136255 -0.569355 2.269536
H -4.925962 2.558898 -0.795833
H -4.918110 1.640116 0.720819
H -6.195381 0.357528 -0.984707
H -4.846297 0.474415 -2.139743


