%chk=000248719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248719

0 1
N -0.645354 0.304257 0.000681
N 0.643963 0.304219 -0.003106
C -4.995637 0.422274 0.006658
C 4.994284 0.421971 -0.006597
C -1.373271 -0.869520 0.002721
C 1.371817 -0.869597 -0.005230
C -3.526131 0.354619 0.010065
C 3.524777 0.354399 -0.010038
C -2.836405 -0.798132 0.006107
C 2.834958 -0.798313 -0.008569
C -0.696294 -2.110617 0.000461
C 0.694769 -2.110656 -0.003126
C -5.768119 -0.449204 0.792046
C 5.766700 -0.448278 -0.793415
C -5.635871 1.388800 -0.789678
C 5.634601 1.387195 0.791261
C -7.162560 -0.357693 0.775299
C 7.161149 -0.356859 -0.776573
C -7.029501 1.469620 -0.807464
C 7.028232 1.467920 0.809123
C -7.795337 0.597861 -0.025294
C 7.794001 0.597378 0.025526
H -3.011040 1.325286 0.005284
H 3.009743 1.325084 -0.003127
H -3.346122 -1.765187 -0.004442
H 3.344599 -1.765429 -0.000188
H -1.254419 -3.045716 0.001247
H 1.252847 -3.045783 -0.004022
H -5.279990 -1.189428 1.423574
H 5.278523 -1.187458 -1.426126
H -5.043255 2.070994 -1.398001
H 5.042045 2.068446 1.400693
H -7.756857 -1.032987 1.388831
H 7.755392 -1.031194 -1.391214
H -7.521450 2.215276 -1.430357
H 7.520248 2.212552 1.433189
H -8.881401 0.665723 -0.038776
H 8.880068 0.665175 0.039074


%chk=000248719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248719

0 1
N -0.678000 0.181018 0.001977
N 0.676629 0.180981 -0.002595
C -5.011203 0.384505 0.016491
C 5.009843 0.384235 -0.016588
C -1.383426 -1.020530 0.003419
C 1.381985 -1.020605 -0.005787
C -3.551496 0.228393 0.011198
C 3.550127 0.228203 -0.011643
C -2.845150 -0.947835 0.008471
C 2.843713 -0.947987 -0.010670
C -0.699839 -2.271910 0.000284
C 0.698324 -2.271948 -0.004501
C -5.921967 -0.714510 0.019583
C 5.920541 -0.714830 -0.021020
C -5.554274 1.703142 0.018791
C 5.552994 1.702841 -0.017087
C -7.313124 -0.499000 0.024797
C 7.311711 -0.499397 -0.025789
C -6.947666 1.919610 0.023935
C 6.946400 1.919232 -0.021793
C -7.835227 0.818681 0.027034
C 7.833894 0.818253 -0.026238
H -2.955960 1.151422 0.009157
H 2.954646 1.151263 -0.008321
H -3.365185 -1.915470 0.010197
H 3.363692 -1.915649 -0.013794
H -1.269610 -3.207457 0.001555
H 1.268039 -3.207525 -0.007148
H -5.540173 -1.741493 0.017847
H 5.538685 -1.741791 -0.020661
H -4.868079 2.558931 0.016354
H 4.866850 2.558668 -0.013597
H -7.996835 -1.355505 0.027289
H 7.995371 -1.355940 -0.029321
H -7.341105 2.942092 0.025459
H 7.339901 2.941690 -0.021926
H -8.918582 0.981855 0.031300
H 8.917259 0.981368 -0.030164


