%chk=000250759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250759

0 1
O -0.242541 -2.680862 -0.144928
O -3.623095 0.331666 0.782773
N 0.281491 -0.457344 -0.402625
N -1.943912 -1.182612 0.326029
N -1.587609 2.557060 0.114037
N 4.012735 -0.757588 -0.044862
N 0.554213 2.038097 -0.519118
C 1.693836 -0.765461 -0.776534
C -0.152471 0.859895 -0.281812
C -1.483527 1.153410 0.115827
C 2.605554 -0.726455 0.468571
C -0.617405 -1.526369 -0.076981
C -2.473077 0.152125 0.436258
C -2.884247 -2.331561 0.559924
C -0.341731 3.051982 -0.274448
C -3.494783 -2.817014 -0.748448
C 4.897827 -1.550353 0.857512
C 4.545311 0.626336 -0.219400
C -0.049957 4.492732 -0.398082
H 1.728118 -1.775130 -1.249933
H 2.028109 -0.025363 -1.540556
H 2.380490 0.167445 1.088728
H 2.395965 -1.611423 1.106787
H -2.316660 -3.151465 1.058589
H -3.678023 -1.981965 1.262201
H -2.426191 3.056738 0.353770
H -4.051726 -2.021416 -1.259439
H -2.726058 -3.184241 -1.442148
H -4.193603 -3.643045 -0.568986
H 4.530929 -2.589422 0.895650
H 4.976797 -1.168867 1.885540
H 5.910392 -1.584063 0.423295
H 5.498767 0.568272 -0.768209
H 4.715096 1.178997 0.715877
H 3.845780 1.213849 -0.838358
H 0.998517 4.651777 -0.717738
H -0.686622 4.983257 -1.151312
H -0.174489 5.027383 0.556549


%chk=000250759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250759

0 1
O -0.111926 -2.608377 -0.152113
O -3.705893 0.330678 0.755967
N 0.284280 -0.315001 -0.387077
N -1.889089 -1.132758 0.301448
N -1.687818 2.598581 0.081053
N 4.025065 -0.867641 0.008886
N 0.455622 2.162222 -0.533388
C 1.691318 -0.557097 -0.788765
C -0.220830 0.972178 -0.279393
C -1.547916 1.206372 0.103420
C 2.613380 -0.776212 0.435899
C -0.544151 -1.421387 -0.082632
C -2.492076 0.168245 0.415980
C -2.757702 -2.310549 0.586247
C -0.467467 3.139713 -0.305333
C -3.389889 -2.884809 -0.696260
C 4.847476 -1.745538 0.863836
C 4.654581 0.450557 -0.206840
C -0.215410 4.607978 -0.445708
H 1.722567 -1.454531 -1.425953
H 2.014276 0.320943 -1.370975
H 2.446251 0.045943 1.175921
H 2.323010 -1.725662 0.919219
H -2.129610 -3.070114 1.078866
H -3.538928 -1.960250 1.280183
H -2.546052 3.098553 0.312571
H -4.017283 -2.127784 -1.197793
H -2.609318 -3.231581 -1.394616
H -4.031283 -3.747956 -0.441341
H 4.382138 -2.744422 0.929159
H 4.985854 -1.355908 1.904590
H 5.849636 -1.865761 0.413147
H 5.645898 0.316704 -0.676001
H 4.793621 1.027701 0.742982
H 4.038980 1.065796 -0.885113
H 0.826986 4.757252 -0.763962
H -0.878695 5.068305 -1.201084
H -0.367403 5.144617 0.508973


