%chk=000213835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213835

0 1
O -2.717868 2.373093 -1.091312
O 4.747929 -2.970828 1.028372
O -4.728487 2.901314 -0.208189
N 0.362059 0.372601 -0.636164
N 2.986153 -0.851676 -0.773483
N 5.991361 -1.259119 0.206702
N -3.931271 0.658430 -0.209142
C 1.306391 0.675754 -1.762234
C 1.138863 0.057356 0.608551
C 2.203987 -0.551485 -2.019447
C 2.039109 -1.165205 0.349050
C -0.590986 1.502345 -0.412271
C -1.850649 1.194980 -1.237375
C 3.923875 -1.993192 -1.008869
C -2.686768 0.007925 -0.711049
C 6.927327 -1.303022 1.371507
C 6.107944 0.025631 -0.538930
C 7.690176 0.032198 1.360639
C 6.991079 0.939515 0.330787
C 4.885278 -2.098639 0.179094
C -3.914072 2.051797 -0.454420
C -4.977832 -0.075355 0.428381
C -6.130094 0.596754 0.884398
C -4.854032 -1.468047 0.598899
C -7.143992 -0.129607 1.505711
C -5.885010 -2.173145 1.225400
C -7.029095 -1.513873 1.680271
H 0.710312 0.891728 -2.674111
H 1.941213 1.567400 -1.562650
H 1.758544 0.912214 0.957925
H 0.419402 -0.186191 1.419859
H 1.580570 -1.408825 -2.355889
H 2.917328 -0.317864 -2.837943
H 2.636060 -1.389527 1.262389
H 1.413296 -2.062200 0.147484
H -0.863022 1.598097 0.662007
H -0.197259 2.501911 -0.702378
H -1.646423 1.133556 -2.325083
H 4.488462 -1.823196 -1.950814
H 3.416113 -2.979988 -1.118496
H -2.163778 -0.543476 0.101051
H -2.919327 -0.721609 -1.515095
H 6.362760 -1.462266 2.316063
H 7.604956 -2.174427 1.249998
H 6.579348 -0.176385 -1.523768
H 5.108584 0.477079 -0.722269
H 8.747842 -0.126467 1.084723
H 7.695420 0.496452 2.361238
H 6.375374 1.701467 0.841630
H 7.724413 1.488608 -0.282427
H -6.235263 1.678325 0.754179
H -3.976836 -2.006857 0.254877
H -8.035613 0.390146 1.858396
H -5.790201 -3.250992 1.358170
H -7.825948 -2.070814 2.166459


%chk=000213835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213835

0 1
O -2.760598 2.549761 -1.218023
O 4.696607 -3.107593 1.150602
O -4.739481 2.964336 -0.050836
N 0.327967 0.457767 -0.597907
N 2.891741 -0.891715 -0.722485
N 5.769297 -1.186569 0.420671
N -3.844534 0.752066 -0.294602
C 1.223830 0.609426 -1.772780
C 1.126817 0.200214 0.630257
C 2.093596 -0.646188 -1.950014
C 1.993063 -1.054977 0.450658
C -0.633697 1.572033 -0.448742
C -1.844733 1.384202 -1.387428
C 3.828969 -2.034839 -0.883145
C -2.708020 0.151112 -1.026745
C 6.740601 -1.206833 1.548861
C 5.975363 -0.020546 -0.480816
C 7.739276 -0.081460 1.189179
C 6.887446 0.910299 0.351934
C 4.798810 -2.154469 0.307352
C -3.893259 2.146302 -0.457042
C -4.815692 -0.048780 0.379827
C -5.902269 0.533609 1.090995
C -4.689174 -1.465128 0.341316
C -6.831807 -0.298411 1.747618
C -5.629120 -2.281384 1.005268
C -6.706666 -1.706683 1.714462
H 0.616018 0.759501 -2.683844
H 1.892874 1.498693 -1.656602
H 1.791633 1.065422 0.874311
H 0.434420 0.048653 1.478526
H 1.430337 -1.515025 -2.189620
H 2.784382 -0.496525 -2.801313
H 2.605268 -1.218411 1.354426
H 1.328239 -1.945214 0.326610
H -1.005092 1.584835 0.593584
H -0.180965 2.571654 -0.647244
H -1.535548 1.380529 -2.444544
H 4.392968 -1.881770 -1.823743
H 3.300456 -3.013573 -0.950894
H -2.122031 -0.541877 -0.399274
H -3.065330 -0.393397 -1.921312
H 6.211611 -1.008730 2.501293
H 7.204200 -2.204544 1.635408
H 6.488161 -0.335999 -1.413727
H 5.001539 0.427804 -0.741679
H 8.563354 -0.486473 0.573213
H 8.181216 0.383065 2.086436
H 6.272360 1.540591 1.020598
H 7.497431 1.575312 -0.282504
H -6.012680 1.619397 1.114947
H -3.868073 -1.938771 -0.204463
H -7.663589 0.164449 2.290477
H -5.514892 -3.370389 0.964065
H -7.434900 -2.342355 2.228840


