%chk=000279622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279622

0 1
O -0.951546 -2.483111 -2.139168
O 1.120371 2.589590 -2.193456
O -4.123810 1.927761 1.331848
O 3.995680 -1.978774 1.335536
N -3.219881 -2.959814 -0.560290
N 3.424521 2.931248 -0.630766
C -0.008170 0.082860 -2.767787
C -1.217222 -0.149087 -1.906846
C 1.219753 0.247848 -1.917968
C -3.040498 0.792019 -0.564678
C 2.982166 -0.798468 -0.572612
C -1.921458 0.955447 -1.355582
C 1.848828 -0.895071 -1.353369
C -3.512820 -0.525016 -0.262565
C 3.547703 0.487072 -0.294857
C -1.660390 -1.432202 -1.618893
C 1.754330 1.500878 -1.656018
C -2.823270 -1.647000 -0.796688
C 2.935185 1.646148 -0.843499
C -3.774486 2.008849 -0.060305
C 3.632924 -2.055648 -0.053608
C -4.652414 -0.797889 0.565695
C 4.708982 0.692252 0.522530
C -5.039235 -2.092184 0.794136
C 5.187349 1.959655 0.727715
C -4.288636 -3.162301 0.201896
C 4.509896 3.070251 0.122242
C -2.985912 1.938949 2.239549
C 2.865431 -1.894659 2.248764
C -3.620499 1.870384 3.616844
C 3.511340 -1.851248 3.621867
H 0.128106 -0.768696 -3.473691
H -0.156230 0.981409 -3.409359
H -1.536190 1.955247 -1.580192
H 1.388713 -1.868267 -1.560505
H -3.207557 2.941757 -0.237247
H -4.774724 2.098097 -0.534176
H 3.001239 -2.949235 -0.213380
H 4.621593 -2.221404 -0.531014
H -5.182276 0.050056 1.018398
H 5.180861 -0.183533 0.986161
H -5.899288 -2.329717 1.415820
H 6.066009 2.145869 1.340736
H -4.590656 -4.202579 0.374918
H 4.885194 4.089330 0.276615
H -1.389781 -3.358309 -1.911869
H 1.615141 3.436460 -1.975574
H -2.416217 2.870211 2.079922
H -2.348662 1.064874 2.018823
H 2.229384 -2.784825 2.106174
H 2.291232 -0.980456 2.017746
H -2.866178 1.929728 4.408326
H -4.335044 2.692314 3.762068
H -4.183621 0.937496 3.749008
H 2.759449 -1.845476 4.417782
H 4.166824 -2.719510 3.775698
H 4.139869 -0.958781 3.737245


%chk=000279622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279622

0 1
O -0.952858 -2.662390 -1.919486
O 0.952332 2.659548 -1.923773
O -4.122245 2.075845 1.311208
O 4.121794 -2.074698 1.312424
N -3.107824 -3.056179 -0.419502
N 3.108176 3.054943 -0.425467
C -0.000804 -0.001832 -2.722515
C -1.242382 -0.233759 -1.868678
C 1.241267 0.230924 -1.869622
C -3.166762 0.716130 -0.582926
C 3.165969 -0.717622 -0.583389
C -2.024081 0.865169 -1.382067
C 2.022869 -0.867518 -1.381768
C -3.581491 -0.614787 -0.216531
C 3.581260 0.613716 -0.219151
C -1.644325 -1.526040 -1.510919
C 1.643727 1.523616 -1.513932
C -2.809858 -1.731424 -0.693000
C 2.809708 1.729874 -0.696870
C -3.966737 1.933465 -0.151597
C 3.965772 -1.934524 -0.150566
C -4.715575 -0.933373 0.602027
C 4.715827 0.933182 0.598390
C -5.019212 -2.273200 0.872966
C 5.019963 2.273321 0.867228
C -4.190092 -3.310448 0.341501
C 4.190875 3.310022 0.334651
C -2.848325 2.333867 2.006295
C 2.848048 -2.331284 2.008362
C -3.175536 2.559006 3.482052
C 3.175665 -2.553537 3.484468
H 0.161376 -0.882698 -3.367681
H -0.163361 0.878442 -3.368381
H -1.690037 1.873818 -1.656944
H 1.688383 -1.876463 -1.655004
H -3.501736 2.850584 -0.571578
H -5.011057 1.878526 -0.510452
H 3.500369 -2.852162 -0.568962
H 5.009977 -1.880419 -0.509873
H -5.315886 -0.123177 1.025819
H 5.316148 0.123456 1.023063
H -5.879409 -2.540836 1.494126
H 5.880543 2.541623 1.487571
H -4.412842 -4.363681 0.545487
H 4.414014 4.363491 0.536988
H -1.480385 -3.432662 -1.533193
H 1.480148 3.430248 -1.538742
H -2.360726 3.229894 1.561253
H -2.161943 1.471315 1.873997
H 2.360292 -3.228156 1.565203
H 2.161680 -1.468957 1.874545
H -2.251503 2.756264 4.055775
H -3.855160 3.420307 3.602342
H -3.667798 1.667559 3.908654
H 2.251801 -2.749714 4.058834
H 3.855355 -3.414576 3.606249
H 3.668016 -1.661242 3.909191


