%chk=000217782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217782

0 1
N 3.919538 -0.977987 -0.785812
C -0.332292 -0.137311 0.466636
C 2.114250 -0.236825 0.770681
C 0.990480 -0.542777 -0.238544
C -0.046712 -0.407322 1.975540
C 1.479114 -0.405768 2.171734
C 3.342832 -1.149720 0.589409
C -0.592632 1.332592 0.140260
C -1.549839 -0.963363 0.065324
C -1.209182 1.662317 -1.080731
C -1.466774 -2.048920 -0.815039
C -0.190518 2.368175 0.994212
C -2.800730 -0.630273 0.617979
C 4.884309 -2.081491 -1.078836
C 4.598923 0.344504 -0.927029
C -1.432500 2.995450 -1.426898
C -2.608505 -2.789553 -1.139659
C -0.415430 3.704529 0.645832
C -3.938304 -1.370079 0.294401
C -1.038152 4.023142 -0.562672
C -3.846013 -2.453994 -0.586748
H 2.428790 0.826873 0.641960
H 1.147918 -0.004829 -1.188010
H 0.990901 -1.616620 -0.503616
H -0.463540 -1.390104 2.263859
H -0.547395 0.330319 2.621842
H 1.798117 0.406067 2.844921
H 1.802047 -1.344277 2.653435
H 3.031645 -2.211784 0.701611
H 4.078441 -0.949367 1.397098
H -1.519218 0.870170 -1.762879
H -0.505694 -2.326527 -1.252054
H 0.306641 2.143286 1.936249
H -2.881240 0.218176 1.296743
H 4.347908 -3.043235 -1.051264
H 5.744083 -2.142003 -0.396501
H 5.266731 -1.957797 -2.104830
H 3.863789 1.146442 -0.744045
H 4.945431 0.457766 -1.966505
H 5.455627 0.501236 -0.256473
H -1.914628 3.236051 -2.372709
H -2.528413 -3.630129 -1.826575
H -0.100981 4.497729 1.321334
H -4.900715 -1.102469 0.726849
H -1.214188 5.061465 -0.832268
H -4.733419 -3.029465 -0.838912


%chk=000217782-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217782

0 1
N 3.964254 -0.995032 -0.781191
C -0.357161 -0.252451 0.510421
C 2.091190 -0.228331 0.745738
C 0.958461 -0.764359 -0.162346
C -0.033344 -0.538827 2.018421
C 1.503336 -0.320634 2.193625
C 3.419193 -0.994191 0.598782
C -0.528237 1.256213 0.192645
C -1.632016 -1.003754 0.077480
C -0.894761 1.637880 -1.127275
C -1.635836 -1.993349 -0.937386
C -0.315026 2.285763 1.143212
C -2.863940 -0.700782 0.719419
C 5.052170 -1.982124 -0.937833
C 4.376413 0.345497 -1.244803
C -1.037904 2.993981 -1.485825
C -2.828097 -2.668326 -1.292325
C -0.461382 3.648793 0.790440
C -4.053901 -1.373458 0.372612
C -0.821222 4.011039 -0.525505
C -4.041719 -2.365315 -0.637322
H 2.255445 0.840168 0.506883
H 1.069267 -0.448087 -1.213154
H 0.978948 -1.872420 -0.142863
H -0.288120 -1.595013 2.219938
H -0.640297 0.069541 2.712383
H 1.729681 0.593068 2.772586
H 1.952387 -1.168356 2.746234
H 3.245593 -2.050988 0.886712
H 4.164239 -0.578202 1.331099
H -1.085492 0.859038 -1.875372
H -0.707921 -2.242384 -1.462198
H -0.035767 2.036545 2.172114
H -2.888545 0.079157 1.490268
H 4.683935 -2.988392 -0.668806
H 5.949200 -1.761765 -0.302663
H 5.381875 -2.008665 -1.992196
H 3.514500 1.033963 -1.252015
H 4.758211 0.275016 -2.279051
H 5.179288 0.801409 -0.608957
H -1.325460 3.258741 -2.509964
H -2.806544 -3.428561 -2.081928
H -0.292992 4.425119 1.546080
H -4.990662 -1.122766 0.883777
H -0.935656 5.065975 -0.799220
H -4.965083 -2.888077 -0.911370


