%chk=000229729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229729

0 1
O -6.442478 2.500079 1.853308
O -5.922305 -2.334175 -2.226431
O 6.438282 2.507816 -1.855749
O 5.924712 -2.322140 2.229963
N -4.391801 -0.019937 0.164895
N 4.391102 -0.012945 -0.164233
C -0.567609 -0.107441 0.517235
C 0.567050 -0.106596 -0.516458
C -1.940744 -0.105481 -0.164523
C 1.940170 -0.101572 0.165296
C -3.073954 -0.110888 0.876014
C 3.073382 -0.106575 -0.875232
C -5.459482 0.525170 1.059567
C -4.792105 -1.327796 -0.437879
C 5.458020 0.532530 -1.059582
C 4.793210 -1.319515 0.440124
C -5.459833 2.053583 0.893421
C -5.569793 -1.024755 -1.728774
C 5.456313 2.061137 -0.895256
C 5.570364 -1.013822 1.730715
H -0.473024 -0.991714 1.177212
H -0.471654 0.774945 1.179462
H 0.474179 -0.991380 -1.175992
H 0.469387 0.775271 -1.179131
H -2.047264 0.781525 -0.820387
H -2.036001 -0.980356 -0.837220
H 2.045273 0.786483 0.819968
H 2.036824 -0.975380 0.839184
H -2.997227 -1.005891 1.529449
H -2.966495 0.773659 1.542059
H 2.964676 0.777064 -1.542282
H 2.997926 -1.002427 -1.527650
H -5.331184 0.266324 2.132961
H -6.460403 0.130547 0.778319
H -5.406217 -1.969599 0.229727
H -3.894846 -1.935016 -0.694369
H 5.330037 0.272235 -2.132664
H 6.459479 0.139589 -0.777894
H 5.408291 -1.961235 -0.226670
H 3.896798 -1.927710 0.697261
H -5.762417 2.360248 -0.121363
H -4.486812 2.508111 1.147226
H -4.946278 -0.502415 -2.474010
H -6.493822 -0.451548 -1.543329
H 4.482658 2.514043 -1.149527
H 5.758559 2.369421 0.119137
H 6.493587 -0.439516 1.544652
H 4.946048 -0.491484 2.475281
H -6.636459 3.444904 1.721056
H -6.367198 -2.256472 -3.089076
H 6.630961 3.453070 -1.724664
H 6.369416 -2.242772 3.092553


%chk=000229729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229729

0 1
O -6.640572 2.728275 1.473855
O -6.005511 -2.767200 -1.838230
O 6.636151 2.737025 -1.475536
O 6.008646 -2.755298 1.842716
N -4.470704 -0.050897 0.223030
N 4.470088 -0.044111 -0.222480
C -0.583466 0.015427 0.506579
C 0.582791 0.015612 -0.506754
C -1.973320 -0.003923 -0.168578
C 1.972612 -0.000629 0.168555
C -3.129141 0.037318 0.852981
C 3.128541 0.041212 -0.852854
C -5.534915 0.643791 0.987246
C -4.843157 -1.414844 -0.220612
C 5.533446 0.651396 -0.987126
C 4.844556 -1.406894 0.223035
C -5.604281 2.130541 0.612150
C -5.647679 -1.371382 -1.526760
C 5.600295 2.138690 -0.613723
C 5.648567 -1.360471 1.529400
H -0.486177 -0.865324 1.175620
H -0.500145 0.910287 1.158864
H 0.486895 -0.866239 -1.174543
H 0.498121 0.909419 -1.160308
H -2.078722 0.859702 -0.854380
H -2.060273 -0.913971 -0.796303
H 2.076523 0.864018 0.853294
H 2.060961 -0.909751 0.797432
H -2.980245 -0.771224 1.613658
H -3.075541 0.995071 1.405975
H 3.073529 0.998186 -1.407057
H 2.981093 -0.768516 -1.612544
H -5.393330 0.558614 2.089488
H -6.513489 0.185029 0.757307
H -5.434222 -1.967634 0.545873
H -3.927084 -2.003683 -0.403035
H 5.392426 0.564694 -2.089320
H 6.512677 0.194506 -0.756260
H 5.436776 -1.959727 -0.542527
H 3.929344 -1.996946 0.405872
H -5.861853 2.226273 -0.462957
H -4.619413 2.616395 0.781721
H -5.024162 -0.920923 -2.326154
H -6.559057 -0.748917 -1.396352
H 4.614784 2.622845 -0.784413
H 5.857106 2.236047 0.461419
H 6.558928 -0.736626 1.398497
H 5.024040 -0.910077 2.328041
H -6.744534 3.686226 1.248823
H -6.517623 -2.795709 -2.684415
H 6.738465 3.695410 -1.251602
H 6.520550 -2.781892 2.689090


