%chk=000252729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252729

0 1
O -0.657737 -1.777265 -1.755569
O -0.828073 -3.023963 0.131977
O -3.662216 -1.703052 -0.196656
O -4.651782 0.127242 -1.078978
N -2.103302 -0.881096 2.638130
C 0.147395 0.249624 0.143120
C -1.197776 -0.562404 0.198810
C -0.031179 1.702808 0.541951
C 1.278959 -0.444745 0.879774
C -2.265864 0.167498 -0.643678
C 0.123138 2.732014 -0.459366
C 2.345932 -1.054339 0.121052
C -0.900786 -1.956214 -0.410328
C -0.353330 2.065060 1.830406
C 1.316019 -0.504842 2.254360
C -0.065858 4.090181 -0.088927
C 3.416466 -1.679797 0.814114
C -1.695103 -0.746605 1.567009
C -3.652532 -0.417051 -0.675037
C 0.459882 2.448299 -1.822459
C 2.377069 -1.064914 -1.310993
C -0.540966 3.427253 2.196238
C 2.383822 -1.145394 2.943531
C -0.403096 4.419829 1.261998
C 3.414475 -1.716308 2.244587
C 0.080414 5.121247 -1.072582
C 4.489469 -2.274906 0.074931
C 0.595549 3.450945 -2.748217
C 3.414040 -1.640808 -1.999287
C 0.401878 4.810696 -2.369005
C 4.491064 -2.253543 -1.296320
C -0.359057 -2.970627 -2.555831
C -1.635752 -3.733349 -2.831665
C -4.950729 -2.374425 -0.124796
H 0.421542 0.239894 -0.966150
H -2.358308 1.228069 -0.295405
H -1.909287 0.244784 -1.702194
H -0.461547 1.311090 2.616848
H 0.523939 -0.053713 2.860495
H 0.616586 1.405247 -2.113484
H 1.541567 -0.607699 -1.851635
H -0.796154 3.658339 3.230487
H 2.359407 -1.170616 4.032838
H -0.545237 5.466511 1.527942
H 4.239699 -2.206571 2.759215
H -0.069054 6.156399 -0.766720
H 5.302748 -2.744779 0.627174
H 0.853852 3.226641 -3.782245
H 3.432725 -1.638899 -3.087692
H 0.514725 5.588761 -3.122522
H 5.304690 -2.700842 -1.864714
H 0.392808 -3.571840 -2.012355
H 0.080857 -2.507282 -3.457102
H -1.465290 -4.564783 -3.526017
H -2.052086 -4.158980 -1.904820
H -2.410930 -3.087776 -3.263955
H -5.425674 -2.375016 -1.110155
H -4.668263 -3.381320 0.204436
H -5.578246 -1.865570 0.614038


%chk=000252729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252729

0 1
O -1.044043 -1.901320 -1.821402
O -0.599535 -3.014602 0.179143
O -3.679179 -2.125082 -0.071171
O -5.006088 -0.349217 -0.777041
N -1.892556 -1.080644 2.779674
C -0.083728 0.354929 -0.008469
C -1.343423 -0.625450 0.204811
C -0.314574 1.823997 0.399155
C 1.205598 -0.206145 0.626019
C -2.589640 -0.008119 -0.508162
C 0.398718 2.865221 -0.320066
C 2.208373 -0.898847 -0.159450
C -0.966645 -1.997169 -0.433078
C -1.152786 2.194844 1.459632
C 1.416145 -0.034374 2.000905
C 0.189259 4.253552 0.053418
C 3.396492 -1.402625 0.510830
C -1.634786 -0.883115 1.633204
C -3.884273 -0.808759 -0.470385
C 1.324812 2.596485 -1.386125
C 2.113489 -1.106372 -1.579881
C -1.345230 3.560329 1.830921
C 2.575492 -0.544171 2.654566
C -0.693375 4.575086 1.135662
C 3.550606 -1.218238 1.922284
C 0.874409 5.292736 -0.659106
C 4.408532 -2.079955 -0.247561
C 1.981422 3.629579 -2.059588
C 3.118713 -1.763318 -2.292801
C 1.752132 4.993565 -1.701165
C 4.280229 -2.260282 -1.624427
C -0.706810 -3.146230 -2.586495
C -1.919914 -4.074542 -2.665936
C -4.886630 -2.978992 0.036560
H 0.025947 0.349055 -1.106491
H -2.813598 0.985419 -0.087054
H -2.334017 0.147712 -1.572252
H -1.683945 1.432164 2.036092
H 0.677811 0.511767 2.595415
H 1.552920 1.566267 -1.670939
H 1.233844 -0.754122 -2.128038
H -2.014080 3.796391 2.665186
H 2.690745 -0.398938 3.733618
H -0.840623 5.626915 1.407491
H 4.448432 -1.611740 2.413347
H 0.696854 6.333766 -0.363583
H 5.293493 -2.454204 0.281121
H 2.685719 3.391532 -2.864232
H 3.018212 -1.898212 -3.375808
H 2.271349 5.794658 -2.238203
H 5.060814 -2.776375 -2.193631
H 0.150948 -3.633033 -2.090757
H -0.408105 -2.764917 -3.576376
H -1.671877 -4.953466 -3.289531
H -2.202834 -4.430944 -1.661992
H -2.783217 -3.559085 -3.121248
H -5.369022 -3.079748 -0.950135
H -4.512503 -3.944535 0.402963
H -5.598970 -2.531985 0.749168


