%chk=000243255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243255

0 1
O 6.924198 0.704884 -2.233125
O -1.583471 -1.936607 1.927766
N 1.233168 -0.097093 0.984496
N 3.687768 -0.017069 -0.560065
N -1.617474 0.098464 0.834682
C 2.418191 0.713159 1.453502
C 3.212372 1.180281 0.204074
C 1.702917 -1.280268 0.184435
C 2.505384 -0.803115 -1.039416
C 0.385295 -0.573500 2.119944
C 1.950325 1.948212 2.232431
C 4.577368 0.380504 -1.694728
C 6.021946 0.402258 -1.160973
C -1.022282 -0.904139 1.604667
C -2.869375 -0.068679 0.136527
C -2.882721 0.039668 -1.275439
C -4.067954 -0.288674 0.852961
C -4.102467 -0.059680 -1.955618
C -5.271905 -0.395156 0.137568
C -1.620886 0.264710 -2.045822
C -4.078412 -0.415815 2.338035
C -5.288957 -0.279256 -1.251519
H 3.096966 0.098487 2.101666
H 2.583751 1.863504 -0.406897
H 4.099624 1.759108 0.537088
H 0.808825 -1.847360 -0.157044
H 2.323492 -1.982721 0.785342
H 2.875489 -1.689550 -1.599687
H 1.847922 -0.226505 -1.725244
H 0.783979 -1.475634 2.638374
H 0.300274 0.215697 2.902551
H 1.245869 2.552885 1.647425
H 1.440531 1.672906 3.164646
H 2.795776 2.589756 2.504042
H 4.314637 1.356005 -2.152524
H 4.518453 -0.365362 -2.518623
H 6.351673 -0.601647 -0.829734
H 6.161785 1.123962 -0.339887
H -1.015992 0.849661 0.477490
H 6.801497 1.621526 -2.542833
H -4.126809 0.026562 -3.039682
H -6.201061 -0.571731 0.676465
H -1.269998 1.301042 -1.942153
H -0.810271 -0.396812 -1.704772
H -1.751609 0.076243 -3.119943
H -3.528778 0.401892 2.822789
H -5.088908 -0.434164 2.760770
H -3.577161 -1.358819 2.639340
H -6.231083 -0.362218 -1.791550


%chk=000243255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243255

0 1
O 6.686489 1.523291 -2.241658
O -1.870240 -1.993038 2.336954
N 1.244275 -0.477763 1.043462
N 3.582416 0.087465 -0.580917
N -1.406072 -0.377318 0.669262
C 2.274424 0.502186 1.524012
C 2.982802 1.118104 0.294761
C 1.839065 -1.498139 0.130892
C 2.534613 -0.837576 -1.065456
C 0.418897 -1.129776 2.094458
C 1.649524 1.635538 2.361810
C 4.432904 0.643656 -1.656495
C 5.839910 1.022762 -1.147698
C -1.080083 -1.226215 1.711009
C -2.685369 -0.181047 0.054443
C -2.766472 -0.302564 -1.366435
C -3.827170 0.173454 0.832786
C -4.012140 -0.086328 -1.998996
C -5.059607 0.365369 0.158400
C -1.542186 -0.676121 -2.184215
C -3.742507 0.383082 2.330243
C -5.159961 0.236189 -1.242177
H 3.051929 -0.025366 2.128390
H 2.233122 1.740853 -0.262242
H 3.778137 1.793141 0.657539
H 1.026095 -2.157290 -0.225961
H 2.581291 -2.129292 0.673816
H 3.003990 -1.619240 -1.690075
H 1.767663 -0.310525 -1.690606
H 0.761227 -2.158445 2.331217
H 0.466351 -0.558114 3.037062
H 0.811859 2.105740 1.815300
H 1.272852 1.289828 3.339413
H 2.410669 2.410424 2.566720
H 3.960497 1.535975 -2.147431
H 4.558015 -0.122951 -2.443009
H 6.355665 0.124990 -0.774499
H 5.783273 1.763275 -0.322063
H -0.549720 0.048874 0.264145
H 6.286639 2.353033 -2.607043
H -4.082378 -0.184499 -3.088735
H -5.944663 0.634044 0.747068
H -0.761802 0.110898 -2.154001
H -1.077031 -1.606617 -1.807386
H -1.810800 -0.831367 -3.242613
H -2.860732 0.995567 2.599036
H -4.646255 0.891374 2.707326
H -3.625220 -0.583026 2.853782
H -6.122284 0.393306 -1.741800


