%chk=000247296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247296

0 1
O -6.211962 -0.266741 -1.227439
O 5.279888 1.468788 -1.521830
N 4.813253 0.018797 0.178368
N -5.175309 1.554224 -0.405702
C 1.314044 -1.214072 -0.369162
C -0.087629 -1.127597 0.251564
C 2.257737 -0.117466 0.220804
C -0.686667 0.256745 -0.133945
C -2.141218 0.438879 0.428783
C 1.696624 1.249639 -0.200663
C 0.251313 1.406935 0.301867
C 3.603908 -0.521583 -0.475363
C -3.015397 -0.748387 -0.096248
C 2.127322 -2.512909 -0.230391
C -0.988852 -2.264801 -0.253371
C 3.592701 -2.078400 -0.467736
C -2.410411 -2.112799 0.290988
C -2.689859 1.777790 -0.141861
C 2.391031 -0.191218 1.749278
C -2.126088 0.482395 1.964516
C -4.477490 -0.703156 0.392519
C -4.081189 2.192652 0.355941
C -5.345561 0.169628 -0.483403
C 5.571951 1.027783 -0.422592
C 6.757391 1.495436 0.377961
H 1.199735 -1.018086 -1.468052
H -0.013268 -1.196450 1.363289
H -0.759479 0.288503 -1.249813
H 1.734594 1.360084 -1.301311
H 2.326972 2.067354 0.194418
H 0.258107 1.484359 1.406806
H -0.153886 2.371249 -0.064854
H 3.595869 -0.149045 -1.536718
H -3.023342 -0.687161 -1.214804
H 1.807721 -3.273939 -0.959040
H 2.001570 -2.963378 0.767566
H -0.571404 -3.242052 0.054224
H -1.005276 -2.281879 -1.360195
H 4.254979 -2.490023 0.310163
H 3.975305 -2.464912 -1.426423
H -3.046478 -2.928351 -0.106093
H -2.413807 -2.235043 1.390553
H -2.693307 1.727557 -1.249118
H -1.976485 2.591460 0.107956
H 2.989328 0.639147 2.136436
H 1.407825 -0.134206 2.234167
H 2.851450 -1.129179 2.073751
H -1.606131 1.370151 2.338756
H -3.142742 0.494756 2.377012
H -1.617255 -0.395237 2.380915
H -4.529569 -0.378456 1.451489
H -4.916553 -1.725703 0.377479
H 5.020479 -0.315077 1.111659
H -4.199245 1.950359 1.437980
H -4.195939 3.296471 0.269173
H -5.693542 2.137205 -1.059527
H 7.303522 2.269328 -0.187127
H 6.466095 1.943324 1.335486
H 7.469926 0.686209 0.580917


%chk=000247296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247296

0 1
O -6.231548 -0.252906 -1.563642
O 5.027533 1.575654 -1.684697
N 4.864813 0.037157 0.058496
N -5.117176 1.569878 -0.672845
C 1.339367 -1.238397 -0.209828
C -0.091345 -1.143486 0.355995
C 2.304852 -0.147048 0.341672
C -0.681873 0.267564 0.013697
C -2.177671 0.449784 0.516785
C 1.738352 1.233531 -0.056382
C 0.282123 1.411784 0.453950
C 3.614277 -0.576570 -0.403915
C -3.031137 -0.712392 -0.127723
C 2.134612 -2.563059 -0.059012
C -0.992942 -2.262901 -0.211326
C 3.625385 -2.139274 -0.292077
C -2.461303 -2.110658 0.227928
C -2.679270 1.842832 0.010745
C 2.518826 -0.230026 1.875916
C -2.244775 0.418178 2.069320
C -4.560308 -0.681057 0.188023
C -4.162979 2.214032 0.247806
C -5.376546 0.212316 -0.746404
C 5.497870 1.069627 -0.619312
C 6.810883 1.552049 -0.004948
H 1.253349 -1.041109 -1.304273
H -0.046880 -1.263418 1.459570
H -0.733889 0.309206 -1.101050
H 1.758373 1.327065 -1.161347
H 2.372814 2.051682 0.337585
H 0.290309 1.491667 1.558533
H -0.088900 2.381687 0.075562
H 3.512368 -0.272174 -1.462920
H -2.923896 -0.600350 -1.230117
H 1.806730 -3.330791 -0.781108
H 1.996951 -2.990990 0.952528
H -0.606315 -3.253383 0.098408
H -0.942178 -2.234103 -1.321191
H 4.266928 -2.463284 0.550646
H 4.051071 -2.591244 -1.204815
H -3.078831 -2.882732 -0.271281
H -2.554957 -2.293161 1.317852
H -2.473474 1.932617 -1.075687
H -2.079943 2.624777 0.515590
H 3.237415 0.547393 2.196911
H 1.583312 -0.060398 2.434760
H 2.914271 -1.213000 2.192296
H -1.690967 1.270113 2.503971
H -3.282297 0.485928 2.441781
H -1.812863 -0.507336 2.486386
H -4.736709 -0.394138 1.242919
H -4.976875 -1.694048 0.057368
H 5.293954 -0.328839 0.909992
H -4.448957 2.011796 1.299835
H -4.273736 3.304133 0.102828
H -5.655927 2.153883 -1.317160
H 6.749029 2.640010 0.168402
H 7.067233 1.052401 0.945947
H 7.628768 1.383433 -0.726943


