%chk=000217060.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217060

0 1
O -0.073035 1.218199 1.044672
N 1.122406 0.824361 -0.910134
N 2.357044 0.999499 -0.226925
C -1.277365 0.267122 -0.848317
C -2.412479 1.308637 -0.830518
C -1.686076 -1.076690 -0.219760
C -2.999694 1.586954 0.559329
C -0.688751 -2.198193 -0.538774
C -0.050657 0.798294 -0.087943
C -4.035870 2.706943 0.514573
C -1.128901 -3.526713 0.069807
C 3.275030 -0.195876 -0.338329
C 2.761886 -1.285817 0.607510
C 4.685087 0.263131 0.046930
H -1.025510 0.091199 -1.924898
H -2.032390 2.256871 -1.263070
H -3.218016 0.968155 -1.510497
H -1.784859 -0.960551 0.880077
H -2.695390 -1.356330 -0.580143
H -2.179210 1.856386 1.263041
H -3.456798 0.668795 0.973472
H -0.576162 -2.309023 -1.634198
H 0.323522 -1.931177 -0.147663
H 1.138997 0.196297 -1.723918
H -4.869593 2.465990 -0.153206
H -3.595692 3.649565 0.169114
H -4.454331 2.892053 1.510772
H -1.212580 -3.461909 1.161659
H -0.412826 -4.324787 -0.156061
H -2.105658 -3.844650 -0.312975
H 3.299822 -0.603926 -1.384677
H 2.805362 1.849728 -0.610813
H 3.440369 -2.141725 0.645107
H 2.652430 -0.893982 1.630416
H 1.763037 -1.651336 0.311491
H 5.100015 0.981190 -0.667472
H 5.374325 -0.587377 0.098075
H 4.690512 0.740792 1.037844


%chk=000217060-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217060

0 1
O 0.003843 0.294957 1.364375
N 1.102047 0.702659 -0.671470
N 2.335490 1.074573 -0.104103
C -1.242389 -0.033604 -0.746463
C -2.197661 1.200565 -0.839321
C -1.942774 -1.292283 -0.177655
C -2.864704 1.628000 0.489073
C -1.131032 -2.591677 -0.378127
C -0.001113 0.317653 0.103456
C -3.709477 2.909124 0.321571
C -1.853354 -3.833704 0.186404
C 3.481491 0.169973 -0.394052
C 3.255825 -1.199799 0.273551
C 4.758647 0.860431 0.124123
H -0.908575 -0.261294 -1.783653
H -1.633522 2.064101 -1.250100
H -2.989067 0.961825 -1.580408
H -2.117827 -1.139042 0.903759
H -2.935686 -1.399026 -0.661633
H -2.087087 1.782326 1.259614
H -3.510313 0.808809 0.860432
H -0.928343 -2.739273 -1.459803
H -0.146030 -2.485104 0.119877
H 1.021903 0.616108 -1.695505
H -4.506880 2.769922 -0.433938
H -3.081889 3.759588 -0.007187
H -4.193361 3.197328 1.272811
H -2.035543 -3.721441 1.271475
H -1.257168 -4.752687 0.036888
H -2.833752 -3.982107 -0.305198
H 3.589896 0.010782 -1.498498
H 2.540581 2.072764 -0.244856
H 4.091039 -1.885574 0.040958
H 3.176977 -1.075277 1.367223
H 2.318564 -1.663954 -0.082163
H 4.936162 1.828867 -0.383028
H 5.639902 0.220340 -0.054604
H 4.673180 1.045249 1.209770


