%chk=000241990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241990

0 1
O -7.705961 1.713116 -2.650432
O -7.906138 -2.464063 0.018229
N -5.962957 0.085925 0.189825
N 0.466897 -0.427709 -0.471274
N 1.742315 1.289064 1.437503
N 3.876033 0.613201 0.622625
N 4.058560 -0.988269 -1.201544
N -0.350053 1.856996 2.304476
N 2.180428 -1.933913 -2.232691
C -4.543410 0.043965 0.201644
C -6.654678 0.143637 -1.128721
C -6.707012 -0.698931 1.208294
C -1.729837 0.202649 0.313252
C -3.810487 0.628720 -0.860556
C -3.835644 -0.469266 1.314810
C -7.224762 1.562797 -1.310112
C -6.804964 -2.204351 0.899871
C -2.423307 0.698525 -0.802944
C -2.446973 -0.389077 1.363440
C -0.257740 0.286351 0.372860
C 0.396687 1.166215 1.364902
C 1.841083 -0.330067 -0.393966
C 2.501726 0.525650 0.563257
C 2.695837 -1.091545 -1.283089
C 4.597593 -0.138411 -0.252171
C 6.076917 -0.046561 -0.188591
C 6.689218 0.746983 0.799015
C 6.875720 -0.747425 -1.110085
C 8.081652 0.834848 0.860560
C 8.267352 -0.653830 -1.041650
C 8.871477 0.135996 -0.057821
H -7.464565 -0.622437 -1.190588
H -5.972274 -0.094903 -1.976626
H -7.729743 -0.261635 1.283623
H -6.233954 -0.538881 2.204951
H -4.326757 1.032585 -1.731105
H -4.365822 -0.930857 2.144151
H -6.440738 2.341379 -1.236496
H -8.030705 1.786813 -0.592308
H -6.912895 -2.806352 1.817766
H -5.934217 -2.574169 0.321248
H -1.866225 1.139718 -1.631752
H -1.910860 -0.796082 2.222994
H -8.477310 1.135135 -2.810246
H -8.755596 -2.391548 0.496396
H 0.124036 2.536812 2.887474
H -1.328843 2.025249 2.127344
H 6.070585 1.295756 1.517688
H 6.405556 -1.365717 -1.879352
H 2.790373 -2.465331 -2.833949
H 1.182571 -2.057123 -2.322179
H 8.550541 1.450126 1.626417
H 8.881802 -1.197578 -1.756521
H 9.956968 0.206719 -0.007250


%chk=000241990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241990

0 1
O -7.542214 1.279841 -3.141828
O -7.796988 -2.676903 0.543159
N -5.983428 -0.201787 -0.000681
N 0.484775 -0.107457 -0.556196
N 1.804141 0.945653 1.751887
N 3.913376 0.431221 0.788180
N 4.031717 -0.516712 -1.473192
N -0.243969 1.533990 2.666128
N 2.071665 -0.996518 -2.690912
C -4.592630 -0.076653 0.133098
C -6.632845 -0.167177 -1.324110
C -6.841449 -0.444121 1.169202
C -1.722471 0.219596 0.406810
C -3.760765 0.250050 -0.988455
C -3.935580 -0.270890 1.390844
C -7.001157 1.268444 -1.776585
C -7.004083 -1.937863 1.540237
C -2.372350 0.379244 -0.849046
C -2.543696 -0.117730 1.519092
C -0.248080 0.330403 0.492318
C 0.453633 0.923137 1.643819
C 1.855409 -0.047453 -0.468140
C 2.538984 0.436896 0.700973
C 2.678052 -0.524328 -1.559508
C 4.590367 -0.041209 -0.296027
C 6.076330 -0.052060 -0.217727
C 6.729408 0.415270 0.954919
C 6.855943 -0.526932 -1.306291
C 8.136687 0.406280 1.035241
C 8.263952 -0.533976 -1.222508
C 8.909976 -0.067926 -0.052348
H -7.540392 -0.797358 -1.277361
H -5.982112 -0.629204 -2.087510
H -7.842715 -0.015012 0.966689
H -6.441972 0.106766 2.041928
H -4.200665 0.416629 -1.975534
H -4.500074 -0.578298 2.275673
H -6.101176 1.901742 -1.827967
H -7.708521 1.729682 -1.053721
H -7.455495 -2.025176 2.552569
H -6.022630 -2.437893 1.544815
H -1.759704 0.620702 -1.723854
H -2.086006 -0.337502 2.490794
H -8.403680 0.791306 -3.160539
H -8.753867 -2.445239 0.655270
H 0.306734 1.980941 3.398184
H -1.246894 1.688570 2.605755
H 6.107792 0.776491 1.779708
H 6.335568 -0.882912 -2.200065
H 2.641506 -1.349714 -3.455727
H 1.052804 -1.020095 -2.719035
H 8.633090 0.768006 1.942899
H 8.858840 -0.901777 -2.066391
H 10.004361 -0.074089 0.011662


