%chk=000238032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238032

0 1
O -2.778606 -2.339278 0.579683
N -2.871102 -0.485648 -0.745521
N -4.355877 1.929967 -0.129007
C -4.360178 -0.490806 -0.700751
C -2.322989 0.857238 -1.064615
C -4.897565 0.586086 0.263700
C -2.855783 1.923863 -0.083299
C -2.177114 -1.417068 0.051660
C -4.896843 2.989862 0.773053
C -0.686531 -1.278065 0.114267
C 3.601676 -1.007370 0.369220
C 4.076753 0.411014 0.015219
C 2.103633 -1.105580 0.281234
C 5.603463 0.527566 0.101034
C -0.080947 -0.927903 1.327348
C 0.098006 -1.551605 -1.013406
C 1.309728 -0.835971 1.407641
C 1.488378 -1.463186 -0.929590
C 6.077656 1.944500 -0.251954
C 7.597374 2.067355 -0.169891
H -4.718624 -1.499405 -0.387417
H -4.730906 -0.304831 -1.733687
H -2.638452 1.111478 -2.104338
H -1.213041 0.845864 -1.053426
H -6.005404 0.627021 0.182884
H -4.659165 0.306752 1.312495
H -2.448595 1.743552 0.934047
H -2.498984 2.926345 -0.404110
H -4.643177 2.872301 1.836701
H -5.995072 3.011272 0.679448
H -4.529190 3.971802 0.433927
H 3.949976 -1.280500 1.386414
H 4.079467 -1.746335 -0.306311
H 3.600395 1.144110 0.695186
H 3.731689 0.676203 -1.003318
H 6.079003 -0.206109 -0.578152
H 5.948134 0.260343 1.118605
H -0.694284 -0.738253 2.208563
H -0.378448 -1.838164 -1.951768
H 1.779311 -0.561018 2.350480
H 2.097294 -1.676998 -1.806331
H 5.606304 2.680171 0.428943
H 5.735878 2.213349 -1.270770
H 7.967462 1.844332 0.837326
H 7.926786 3.081572 -0.422525
H 8.096709 1.379273 -0.861588


%chk=000238032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238032

0 1
O -2.566207 -2.020820 1.379555
N -2.944705 -0.411292 -0.264193
N -4.779530 1.814571 -0.352151
C -4.406950 -0.632998 -0.191670
C -2.573302 0.836336 -0.966304
C -5.120865 0.590226 0.413910
C -3.316672 2.041905 -0.348249
C -2.100240 -1.194383 0.525733
C -5.535057 2.996609 0.105640
C -0.609786 -1.081163 0.320870
C 3.753907 -1.040782 -0.097872
C 4.329181 0.393927 0.075558
C 2.240846 -1.086291 0.041814
C 5.867611 0.439910 -0.053079
C 0.228665 -1.158365 1.462174
C -0.008803 -1.036334 -0.963500
C 1.630243 -1.146905 1.323129
C 1.396064 -1.044599 -1.096942
C 6.450983 1.859768 0.132297
C 7.989361 1.899149 0.005525
H -4.580017 -1.529158 0.425204
H -4.787710 -0.802738 -1.217597
H -2.854332 0.753912 -2.035129
H -1.487630 0.998650 -0.894428
H -6.214650 0.434645 0.364394
H -4.835501 0.683128 1.492873
H -2.925566 2.213580 0.689111
H -3.094432 2.945310 -0.947089
H -5.315578 3.280585 1.165983
H -6.618648 2.798123 0.022898
H -5.296460 3.863079 -0.537116
H 4.224577 -1.700033 0.658437
H 4.056099 -1.426009 -1.091415
H 4.026182 0.788722 1.066423
H 3.869689 1.062976 -0.679948
H 6.166609 0.047862 -1.047892
H 6.320119 -0.241885 0.697506
H -0.238291 -1.249802 2.448407
H -0.639212 -1.034948 -1.860313
H 2.263583 -1.203136 2.217256
H 1.844003 -1.029586 -2.098176
H 6.150178 2.249181 1.126310
H 5.998747 2.540512 -0.617544
H 8.466119 1.249844 0.764014
H 8.381169 2.923654 0.143575
H 8.314407 1.544160 -0.990683


