%chk=000209437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209437

0 1
O 4.051662 -0.348592 -0.862633
O 2.893473 -2.280850 -0.419445
N 1.877665 -0.430725 -1.447275
C -0.096345 -0.342928 0.115994
C -0.119710 1.168647 0.171086
C -1.471672 -0.917964 0.375401
C 0.485301 -0.881584 -1.216376
C -0.910828 1.951730 -0.690596
C -2.585663 -0.624690 -0.433622
C 0.696582 1.804539 1.124113
C -1.625894 -1.784477 1.472730
C -1.790233 1.378920 -1.716500
C -2.519206 0.258521 -1.604042
C -0.863528 3.357392 -0.584050
C -3.833161 -1.207359 -0.127548
C 0.730717 3.194020 1.224299
C -2.864629 -2.350035 1.768579
C -0.053995 3.974429 0.366163
C -3.974312 -2.058334 0.965546
C 2.915627 -1.141920 -0.838158
C 5.303460 -0.976184 -0.437579
C 5.337829 -1.102534 1.070866
H 0.591870 -0.711765 0.929953
H -0.120387 -0.547316 -2.088344
H 0.455572 -1.998167 -1.207160
H 1.309343 1.204285 1.796692
H -0.765764 -2.019735 2.100077
H -1.848729 1.968496 -2.638657
H -3.162424 -0.050477 -2.436316
H 2.004415 0.575784 -1.580172
H -1.476773 3.966745 -1.247342
H -4.698449 -0.980753 -0.749645
H 1.365929 3.672523 1.967758
H -2.969660 -3.018765 2.621249
H -0.031061 5.060031 0.443309
H -4.943575 -2.497089 1.195623
H 5.398347 -1.950835 -0.948457
H 6.035159 -0.247912 -0.833840
H 6.318091 -1.443291 1.423236
H 5.116214 -0.147419 1.562495
H 4.589341 -1.831462 1.420888


%chk=000209437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209437

0 1
O 4.051783 -0.559210 -1.053084
O 2.715783 -2.152685 0.077034
N 1.797533 -0.529653 -1.350354
C -0.206291 -0.383231 0.191176
C -0.121738 1.139517 0.271384
C -1.601265 -0.965377 0.405733
C 0.402337 -0.932148 -1.149166
C -0.851980 1.999789 -0.612234
C -2.710144 -0.635483 -0.439833
C 0.793813 1.717651 1.184780
C -1.774635 -1.951029 1.408465
C -1.898920 1.542447 -1.536470
C -2.691395 0.421462 -1.460636
C -0.580044 3.401133 -0.581850
C -3.933363 -1.352329 -0.273089
C 1.027445 3.109611 1.225877
C -3.000030 -2.630788 1.578914
C 0.342371 3.956965 0.323765
C -4.086239 -2.334637 0.722144
C 2.827986 -1.166240 -0.701253
C 5.258623 -1.121640 -0.388017
C 5.485191 -0.473438 0.981368
H 0.442571 -0.791246 0.988453
H -0.187791 -0.584211 -2.012526
H 0.355178 -2.034616 -1.114917
H 1.349787 1.057085 1.861160
H -0.922228 -2.205121 2.049730
H -2.142841 2.253944 -2.338619
H -3.491442 0.343959 -2.211068
H 2.021959 0.302980 -1.894987
H -1.129212 4.057519 -1.268198
H -4.778424 -1.108402 -0.928596
H 1.748785 3.525210 1.937919
H -3.100609 -3.394632 2.357670
H 0.523810 5.037271 0.331356
H -5.039172 -2.863509 0.832332
H 5.133490 -2.214993 -0.295192
H 6.074677 -0.892476 -1.092554
H 6.434528 -0.837464 1.417182
H 5.544168 0.625254 0.891187
H 4.666545 -0.734341 1.673314


%chk=000209437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209437

0 1
O 4.051783 -0.559210 -1.053084
O 2.715783 -2.152685 0.077034
N 1.797533 -0.529653 -1.350354
C -0.206291 -0.383231 0.191176
C -0.121738 1.139517 0.271384
C -1.601265 -0.965377 0.405733
C 0.402337 -0.932148 -1.149166
C -0.851980 1.999789 -0.612234
C -2.710144 -0.635483 -0.439833
C 0.793813 1.717651 1.184780
C -1.774635 -1.951029 1.408465
C -1.898920 1.542447 -1.536470
C -2.691395 0.421462 -1.460636
C -0.580044 3.401133 -0.581850
C -3.933363 -1.352329 -0.273089
C 1.027445 3.109611 1.225877
C -3.000030 -2.630788 1.578914
C 0.342371 3.956965 0.323765
C -4.086239 -2.334637 0.722144
C 2.827986 -1.166240 -0.701253
C 5.258623 -1.121640 -0.388017
C 5.485191 -0.473438 0.981368
H 0.442571 -0.791246 0.988453
H -0.187791 -0.584211 -2.012526
H 0.355178 -2.034616 -1.114917
H 1.349787 1.057085 1.861160
H -0.922228 -2.205121 2.049730
H -2.142841 2.253944 -2.338619
H -3.491442 0.343959 -2.211068
H 2.021959 0.302980 -1.894987
H -1.129212 4.057519 -1.268198
H -4.778424 -1.108402 -0.928596
H 1.748785 3.525210 1.937919
H -3.100609 -3.394632 2.357670
H 0.523810 5.037271 0.331356
H -5.039172 -2.863509 0.832332
H 5.133490 -2.214993 -0.295192
H 6.074677 -0.892476 -1.092554
H 6.434528 -0.837464 1.417182
H 5.544168 0.625254 0.891187
H 4.666545 -0.734341 1.673314


