%chk=000245652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245652

0 1
O -0.814633 2.848156 -0.897889
O -1.586033 -3.921315 -0.815405
O -6.669543 -1.409124 -2.691911
O 2.618733 3.394733 0.008734
O 3.073908 -4.041376 1.171742
O 1.065770 -3.341594 0.783698
N -3.844190 -1.070572 -0.301220
N 1.436600 1.464328 -0.453129
N 2.273869 -3.169831 0.888190
C -4.222597 -0.140576 0.813407
C -2.849214 -2.091468 0.155856
C -5.059156 -1.710640 -0.896085
C -3.129257 0.875194 1.054260
C -2.075168 -2.603545 -1.075519
C -5.573124 -0.784423 -2.013644
C -2.429201 1.437255 -0.014829
C -2.844876 1.284077 2.372049
C -1.445898 2.401186 0.261911
C -1.869431 2.251128 2.612542
C -1.147349 2.824863 1.557903
C 0.360291 3.665237 -0.767707
C 1.592865 2.856073 -0.354683
C 2.369041 0.491652 0.016147
C 1.892500 -0.818516 0.208440
C 3.719666 0.801896 0.282059
C 2.785566 -1.795056 0.661895
C 4.583784 -0.197568 0.725850
C 4.130454 -1.507907 0.919137
H -5.143623 0.419628 0.519442
H -4.477987 -0.677863 1.754333
H -2.144784 -1.625475 0.877415
H -3.306104 -2.957666 0.683933
H -4.798247 -2.697752 -1.345286
H -5.860777 -1.924678 -0.160579
H -2.731612 -2.751862 -1.955975
H -1.245566 -1.934034 -1.351715
H -5.882180 0.205293 -1.638804
H -4.822482 -0.655454 -2.817552
H -2.634310 1.132661 -1.042471
H -3.385953 0.846106 3.207675
H -1.657974 2.565644 3.635729
H -0.387686 3.572817 1.759857
H -0.833087 -3.900720 -0.180729
H -7.437711 -1.506309 -2.098198
H 0.195239 4.508686 -0.070535
H 0.478875 4.063628 -1.799259
H 0.533188 1.101978 -0.794663
H 0.846649 -1.082079 0.023538
H 4.082284 1.830132 0.146122
H 5.630065 0.044797 0.926965
H 4.807209 -2.294344 1.265756


%chk=000245652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245652

0 1
O -0.782878 2.771883 -0.994486
O -1.352572 -3.936019 -0.926052
O -6.838946 -1.215810 -2.633649
O 2.678525 3.577246 -0.035320
O 2.976512 -4.069756 1.178919
O 0.905818 -3.238838 0.720776
N -3.890511 -1.206219 -0.229044
N 1.530315 1.553975 -0.441409
N 2.188748 -3.103894 0.865674
C -4.178775 -0.274639 0.883501
C -2.896371 -2.261773 0.101680
C -5.106500 -1.714458 -0.906765
C -3.103307 0.790074 1.099076
C -2.069109 -2.680913 -1.136649
C -5.627958 -0.717919 -1.963361
C -2.397519 1.322365 -0.001699
C -2.841550 1.296561 2.398436
C -1.442026 2.342868 0.196877
C -1.889631 2.321405 2.582782
C -1.173140 2.855936 1.486411
C 0.374543 3.664403 -0.873689
C 1.651769 2.935472 -0.397465
C 2.425819 0.569602 0.038644
C 1.909741 -0.737985 0.199851
C 3.784156 0.840132 0.367014
C 2.759840 -1.752049 0.675150
C 4.607453 -0.207001 0.837634
C 4.116086 -1.519836 0.994201
H -5.128778 0.245164 0.647422
H -4.354192 -0.812117 1.847582
H -2.216132 -1.870260 0.881966
H -3.379153 -3.176614 0.518611
H -4.868828 -2.663165 -1.418646
H -5.923815 -1.947840 -0.176950
H -2.739702 -2.880031 -1.990207
H -1.388188 -1.851922 -1.430153
H -5.807446 0.280854 -1.509978
H -4.885099 -0.602739 -2.767998
H -2.586225 0.926468 -1.004607
H -3.375659 0.883605 3.262246
H -1.685776 2.704128 3.588783
H -0.422273 3.632876 1.658213
H -0.601331 -3.811467 -0.287647
H -7.554479 -1.339447 -1.959418
H 0.186531 4.522098 -0.203747
H 0.540284 4.051416 -1.893286
H 0.616376 1.224568 -0.774836
H 0.862875 -0.971727 -0.016568
H 4.166487 1.857296 0.258098
H 5.651522 0.008985 1.085173
H 4.741271 -2.339538 1.355706


