%chk=000255330.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255330

0 1
O -0.000898 -4.264701 0.000407
O 4.903400 -0.015774 0.368463
O -4.905244 -0.016057 -0.369126
O 11.193935 4.030754 0.091211
O -11.195733 4.030665 -0.092984
O 9.649674 4.773307 1.410785
O -9.651890 4.772232 -1.413602
N 4.965426 -1.897228 -0.995588
N -4.966726 -1.896282 0.996637
N 6.818411 -0.425959 -0.888739
N -6.819840 -0.425226 0.889046
N 10.087693 3.965960 0.606424
N -10.089651 3.965494 -0.608490
C 3.661647 -2.426268 -0.702346
C -3.663102 -2.425624 0.703268
C 1.177925 -3.555421 -0.237783
C -1.179600 -3.555219 0.238631
C 3.312841 -3.637644 -1.340574
C -3.314412 -3.636950 1.341653
C 2.760219 -1.790188 0.168742
C -2.761676 -1.789824 -0.168029
C 2.063178 -4.204965 -1.112835
C -2.064851 -4.204490 1.113883
C 1.509409 -2.359092 0.406681
C -1.510978 -2.358957 -0.406013
C 7.592094 0.693323 -0.479937
C -7.593666 0.693730 0.479612
C 5.493765 -0.718697 -0.426719
C -5.495327 -0.718300 0.426865
C 8.884899 0.814762 -1.049393
C -8.886297 0.815586 1.049374
C 7.127518 1.651480 0.443723
C -7.129392 1.651179 -0.444932
C 9.226438 2.836581 0.230625
C -9.228261 2.836414 -0.232092
C 9.694894 1.883869 -0.692314
C -9.696419 1.884405 0.691723
C 7.943317 2.718422 0.796318
C -7.945317 2.717839 -0.798094
H 4.008858 -4.135856 -2.013630
H -4.010438 -4.134957 2.014850
H 3.030879 -0.851876 0.669673
H -3.032263 -0.851571 -0.669107
H 1.765799 -5.137825 -1.591222
H -1.767564 -5.137320 1.592385
H 0.809376 -1.880690 1.091865
H -0.810952 -1.880789 -1.091368
H 5.521442 -2.442521 -1.655010
H -5.522516 -2.441042 1.656689
H 7.262768 -1.051882 -1.564693
H -7.263983 -1.050627 1.565624
H 9.252181 0.080718 -1.763814
H -9.253347 0.082085 1.764470
H 6.125975 1.560529 0.885809
H -6.127990 1.559899 -0.887271
H 10.698251 1.996192 -1.121217
H -10.699644 1.997043 1.120850
H 7.597458 3.473343 1.513865
H -7.599692 3.472211 -1.516331


%chk=000255330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255330

0 1
O -0.000832 -4.186135 0.000803
O 5.024506 0.175900 0.504672
O -5.026105 0.175738 -0.504902
O 11.794920 3.727403 -0.179619
O -11.796615 3.727421 0.177455
O 10.254642 4.772699 1.143524
O -10.256168 4.772327 -1.145801
N 5.081217 -1.805315 -0.771514
N -5.082823 -1.804891 0.772191
N 6.961546 -0.424946 -0.707748
N -6.963211 -0.424635 0.707646
N 10.625882 3.802393 0.372599
N -10.627464 3.802311 -0.374537
C 3.772666 -2.325967 -0.541371
C -3.774282 -2.325663 0.542264
C 1.217959 -3.489239 -0.194598
C -1.219602 -3.489129 0.195947
C 3.445177 -3.554322 -1.176712
C -3.446804 -3.553749 1.178130
C 2.805683 -1.687426 0.279606
C -2.807298 -1.687488 -0.278996
C 2.175031 -4.134037 -1.007773
C -2.176669 -4.133558 1.009419
C 1.535129 -2.273487 0.452260
C -1.536759 -2.273648 -0.451425
C 7.823467 0.650775 -0.400907
C -7.825114 0.650968 0.400335
C 5.631552 -0.624088 -0.261469
C -5.633173 -0.623924 0.261562
C 9.126755 0.620684 -0.981543
C -9.128479 0.621045 0.980805
C 7.455226 1.738806 0.443022
C -7.456776 1.738736 -0.443894
C 9.663670 2.718828 0.106413
C -9.665275 2.718840 -0.107885
C 10.047045 1.647314 -0.732728
C -10.048749 1.647584 0.731540
C 8.378492 2.767588 0.691793
C -8.380020 2.767429 -0.693112
H 4.184211 -4.061501 -1.810535
H -4.185838 -4.060646 1.812179
H 3.057095 -0.750325 0.778000
H -3.058700 -0.750596 -0.777786
H 1.914157 -5.079435 -1.491441
H -1.915805 -5.078754 1.493488
H 0.801731 -1.784380 1.100600
H -0.803362 -1.784831 -1.099984
H 5.661500 -2.381498 -1.385027
H -5.663085 -2.380757 1.386023
H 7.365836 -1.131452 -1.326887
H -7.367569 -1.130948 1.326959
H 9.416169 -0.214646 -1.631564
H -9.417971 -0.214082 1.631052
H 6.458860 1.758059 0.885433
H -6.460359 1.757851 -0.886194
H 11.048685 1.639358 -1.169657
H -11.050448 1.639753 1.168336
H 8.118239 3.612123 1.335338
H -8.119692 3.611762 -1.336890


