%chk=000271890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271890

0 1
S 0.043144 1.929745 -1.605473
N 5.224839 -0.441413 0.120417
N -4.411832 -1.344333 0.625806
N 6.819921 -1.516464 1.476819
N 4.535567 -2.204415 1.682791
N -6.538793 -2.318776 0.854148
N -6.315172 -0.497687 -0.688945
C 1.526649 1.162710 -1.049832
C -1.242144 0.936378 -0.923465
C 1.858879 1.171481 0.306520
C -2.408833 1.597119 -0.531889
C 2.390301 0.616958 -2.005009
C -1.129285 -0.453704 -0.825464
C 3.943611 0.052768 -0.230503
C -3.389633 -0.545128 0.049050
C 3.065503 0.609238 0.724314
C -3.490997 0.857055 -0.051859
C 3.602909 0.062204 -1.600174
C -2.199278 -1.199327 -0.334789
C 5.466428 -1.328232 1.056478
C -5.668810 -1.349005 0.257515
H 1.182017 1.613398 1.040429
H -2.483074 2.684072 -0.594770
H 2.121756 0.622992 -3.063435
H -0.210975 -0.958728 -1.129342
H 3.343644 0.638450 1.774077
H -4.396492 1.365601 0.273909
H 4.295758 -0.356285 -2.329132
H -2.125880 -2.281986 -0.238583
H 7.490084 -0.954808 0.948710
H 7.123762 -2.484288 1.523441
H 4.777894 -2.569328 2.595588
H 3.559378 -1.934111 1.625918
H -6.093335 -2.853468 1.601605
H -7.431966 -1.949819 1.166554
H -7.140579 -0.870155 -1.145500
H -5.699166 -0.042409 -1.356725


%chk=000271890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271890

0 1
S 0.034717 1.784106 -1.997892
N 5.327955 -0.279879 0.260203
N -4.418827 -1.427328 0.690435
N 6.742764 -1.407491 1.740188
N 4.535648 -2.191733 1.522326
N -6.601163 -2.117803 1.141809
N -6.311669 -0.417708 -0.455582
C 1.581443 1.083384 -1.271865
C -1.276923 0.805340 -1.145891
C 1.722894 0.867173 0.119007
C -2.394358 1.489243 -0.616012
C 2.680088 0.841910 -2.131148
C -1.220499 -0.608478 -1.061216
C 4.058591 0.126468 -0.213076
C -3.423246 -0.657486 0.053255
C 2.938920 0.382431 0.641427
C -3.461079 0.769055 -0.033171
C 3.905328 0.383259 -1.605553
C -2.268080 -1.324979 -0.454720
C 5.493680 -1.248555 1.138245
C -5.708244 -1.290640 0.457589
H 0.883281 1.076843 0.790719
H -2.423900 2.584067 -0.644159
H 2.575650 1.009631 -3.208712
H -0.352380 -1.141107 -1.464138
H 3.045467 0.248765 1.724524
H -4.293716 1.318479 0.423799
H 4.764605 0.210377 -2.261267
H -2.223893 -2.415656 -0.370327
H 7.443995 -0.717313 1.478335
H 7.056974 -2.324605 2.050898
H 4.638010 -2.733698 2.376614
H 3.620280 -2.157782 1.078792
H -6.178621 -2.780798 1.788085
H -7.564111 -1.828637 1.296418
H -7.226533 -0.642013 -0.842270
H -5.707250 0.199459 -0.996468


