%chk=000210564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210564

0 1
O -0.506908 -2.422258 -2.335620
N -0.083620 -0.885580 -0.701412
N -2.834174 -0.872478 -0.090227
C 3.789947 -0.804005 -0.528913
C 3.783522 0.719371 1.156672
C 2.306805 -0.826953 -0.038173
C 2.283754 0.282572 1.070206
C 4.535950 -0.600091 0.822300
C 4.097538 0.537296 -1.252549
C 4.094461 1.579742 -0.101213
C 1.293796 -0.598815 -1.167322
C 1.750944 -0.228554 2.404621
C -0.883612 -1.815533 -1.340641
C -2.260054 -2.096136 -0.729258
C -3.365977 0.062671 -1.138876
C -3.904941 -1.249650 0.892822
C -3.891033 1.344517 -0.472993
C -4.437829 0.015031 1.586836
C -4.974472 1.023612 0.563849
H 4.072794 -1.692049 -1.104991
H 4.055860 1.196599 2.103193
H 2.105960 -1.823189 0.419025
H 1.660071 1.142497 0.743307
H 5.619209 -0.474940 0.713095
H 4.370880 -1.402867 1.549356
H 3.359842 0.776266 -2.030277
H 5.077104 0.493979 -1.752293
H 5.070057 2.078811 -0.007309
H 3.348064 2.369959 -0.259746
H 1.531605 -1.262497 -2.036039
H 1.338344 0.447646 -1.543908
H 2.367291 -1.040221 2.808347
H 1.731703 0.568515 3.156293
H 0.729617 -0.613635 2.307095
H -0.420079 -0.373789 0.112746
H -2.125947 -2.895263 0.035486
H -2.901775 -2.538827 -1.525493
H -4.165194 -0.398366 -1.758338
H -2.528874 0.313307 -1.827311
H -3.450816 -1.924700 1.650214
H -4.744159 -1.804250 0.420652
H -4.284962 2.028864 -1.246437
H -3.051563 1.876727 0.017175
H -3.624173 0.481650 2.177524
H -5.227720 -0.263273 2.307950
H -5.299390 1.948693 1.074907
H -5.873548 0.617593 0.062769


%chk=000210564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210564

0 1
O -0.264989 -2.919401 -1.893075
N -0.167870 -0.806577 -0.882744
N -2.756263 -0.866327 -0.093080
C 3.742518 -0.645134 -0.656807
C 3.643177 0.556940 1.280819
C 2.251546 -0.804779 -0.217963
C 2.161565 0.087124 1.086026
C 4.450012 -0.656830 0.729964
C 4.030828 0.813509 -1.128845
C 3.960135 1.643110 0.208457
C 1.201776 -0.480840 -1.305044
C 1.587323 -0.666689 2.303386
C -0.781408 -1.998466 -1.186002
C -2.175089 -2.155851 -0.537091
C -3.437793 -0.151853 -1.209822
C -3.634222 -0.984781 1.103554
C -3.878932 1.260899 -0.778812
C -4.073128 0.407420 1.601346
C -4.780888 1.195647 0.475060
H 4.066997 -1.416467 -1.375814
H 3.872269 0.868799 2.314453
H 2.097858 -1.866541 0.063232
H 1.521788 0.974642 0.892232
H 5.536131 -0.461108 0.667155
H 4.287332 -1.592511 1.294570
H 3.317282 1.169583 -1.892289
H 5.038713 0.871916 -1.579285
H 4.925692 2.138007 0.421187
H 3.182831 2.429130 0.180816
H 1.411020 -1.078471 -2.211941
H 1.239577 0.590785 -1.577407
H 2.231718 -1.521101 2.584697
H 1.502708 -0.003677 3.185483
H 0.581255 -1.070063 2.080498
H -0.728989 -0.180664 -0.287084
H -2.045664 -2.817242 0.341108
H -2.817056 -2.706366 -1.260376
H -4.332810 -0.730365 -1.554235
H -2.736182 -0.094301 -2.062401
H -3.070331 -1.513566 1.894700
H -4.544832 -1.595851 0.875291
H -4.410036 1.749407 -1.617978
H -2.979013 1.867992 -0.557398
H -3.176878 0.965062 1.936812
H -4.741193 0.289975 2.475913
H -5.040315 2.214271 0.819821
H -5.733868 0.689605 0.216014


