%chk=000257301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257301

0 1
O 1.057814 1.057850 -2.050506
O 0.743708 -0.353137 2.535121
O 2.272218 4.096119 0.525732
N 1.512479 -1.046511 -1.408872
N 1.323665 -1.807479 0.880544
N 2.140294 -3.275204 -0.767008
C 0.702340 0.618677 0.327087
C -0.803752 0.965512 0.346322
C 1.575006 1.794860 0.809601
C -1.704441 -0.224023 -0.008585
C 1.086041 0.292083 -1.114206
C 0.925292 -0.535890 1.358547
C -3.181255 0.194253 -0.018247
C 1.330126 3.117142 0.072147
C -4.096451 -0.991551 -0.355087
C 1.623534 -2.034330 -0.387978
C -5.566847 -0.580584 -0.367330
H -0.998765 1.805335 -0.351948
H -1.063082 1.343113 1.359609
H 2.647008 1.522463 0.742653
H 1.392908 1.955573 1.899555
H -1.429274 -0.637638 -0.997430
H -1.558956 -1.047005 0.721245
H -3.462228 0.613461 0.967973
H -3.341329 1.010326 -0.749249
H 1.399801 3.010774 -1.027646
H 0.358909 3.574422 0.341345
H -3.819198 -1.415288 -1.339917
H -3.943155 -1.805971 0.380542
H 1.805527 -1.241801 -2.372266
H -5.885930 -0.192002 0.606882
H -6.214060 -1.431855 -0.606919
H -5.763362 0.200146 -1.110979
H 3.173788 3.877803 0.219149
H 2.141601 -4.002609 -0.053119
H 2.009928 -3.608236 -1.709760


%chk=000257301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257301

0 1
O 0.493451 0.636494 -2.233824
O 0.190681 -0.822426 2.340848
O 2.382117 3.826947 0.503763
N 1.822842 -1.043924 -1.378879
N 1.772871 -1.772820 0.928261
N 3.189219 -2.807330 -0.601788
C 0.541756 0.370158 0.231586
C -0.935079 0.848635 0.305429
C 1.530957 1.510235 0.715200
C -1.974883 -0.238234 -0.046871
C 0.909299 0.022198 -1.216045
C 0.794527 -0.806539 1.236350
C -3.421791 0.298820 0.030323
C 1.419594 2.852018 -0.038843
C -4.483912 -0.770039 -0.313452
C 2.240401 -1.857215 -0.308314
C -5.928106 -0.229326 -0.236707
H -1.063269 1.702015 -0.385201
H -1.114757 1.206770 1.336003
H 2.576454 1.141425 0.646493
H 1.320292 1.687066 1.786373
H -1.788688 -0.616428 -1.073309
H -1.868024 -1.093693 0.647879
H -3.613455 0.688531 1.051807
H -3.533371 1.160456 -0.660868
H 1.557222 2.718768 -1.130239
H 0.440054 3.323244 0.132392
H -4.288515 -1.162616 -1.332537
H -4.371258 -1.629238 0.378561
H 2.094157 -1.249298 -2.345938
H -6.158873 0.140034 0.780380
H -6.668290 -1.011276 -0.488052
H -6.073663 0.612740 -0.939677
H 3.302723 3.505392 0.327399
H 3.465101 -3.423278 0.161151
H 3.632118 -2.899467 -1.512651


