%chk=000257079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257079

0 1
O 5.193530 -0.707068 -0.367409
N 5.379049 1.449784 0.293669
N -3.284150 -0.214535 0.390567
N -5.293546 0.544156 -0.274530
N -3.948491 0.621898 -0.301205
N 6.796250 1.461084 0.220338
C 2.387800 -0.804475 -0.263572
C 0.901980 -0.628654 -0.118787
C 3.123848 0.487991 0.118202
C 0.271880 -0.919677 1.102571
C 0.135654 -0.167844 -1.199265
C -1.103816 -0.755063 1.247174
C -1.242590 0.004982 -1.067891
C -1.866995 -0.287241 0.158148
C 4.618198 0.310805 -0.019298
C -6.024579 -0.292611 0.717761
C -5.945761 1.848852 -0.579473
H 2.657052 -1.099437 -1.300682
H 2.754515 -1.646160 0.362961
H 2.769950 1.323564 -0.522184
H 2.861657 0.774967 1.158746
H 0.860908 -1.282348 1.943908
H 0.615642 0.054823 -2.151234
H -1.595642 -0.988100 2.191606
H -1.834324 0.360977 -1.910847
H 4.996785 2.344587 0.593345
H -5.614456 -1.320905 0.703685
H -7.087876 -0.348841 0.444134
H -5.932649 0.082591 1.749280
H -6.115365 2.464011 0.318581
H -6.914509 1.647240 -1.067220
H -5.330918 2.435810 -1.286698
H 7.091302 1.205975 -0.734204
H 7.176069 0.719062 0.827321


%chk=000257079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257079

0 1
O 5.240253 -0.927555 0.499867
N 5.453518 1.343930 0.072426
N -3.314098 -0.132861 0.488201
N -5.329488 0.660375 -0.067079
N -4.002986 0.598761 -0.367022
N 6.872642 1.327159 -0.011798
C 2.404099 -0.631572 -0.412160
C 0.901390 -0.505310 -0.222796
C 3.185028 0.434512 0.411094
C 0.250991 -1.131775 0.871850
C 0.110901 0.272258 -1.111450
C -1.135782 -0.985363 1.073288
C -1.275373 0.427277 -0.922579
C -1.917321 -0.203821 0.181377
C 4.695473 0.205671 0.334865
C -5.901768 -0.034961 1.096811
C -6.161526 1.449351 -0.976669
H 2.669093 -0.520927 -1.480873
H 2.764570 -1.625773 -0.091546
H 2.910767 1.453764 0.077292
H 2.883708 0.350774 1.473195
H 0.836980 -1.747346 1.565829
H 0.594420 0.756475 -1.970118
H -1.642574 -1.472378 1.913261
H -1.874089 1.024174 -1.617394
H 5.015608 2.255443 -0.067922
H -5.714219 -1.122483 1.029354
H -6.985271 0.161716 1.125705
H -5.426191 0.316853 2.030758
H -6.661928 2.280241 -0.443243
H -6.938246 0.822754 -1.456024
H -5.505576 1.866050 -1.756002
H 7.175158 0.703487 -0.774255
H 7.278242 1.011301 0.881256


