%chk=000272892.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272892

0 1
O 1.078054 -0.779874 -0.247535
O 2.044851 -2.412410 0.969167
O -2.256816 -1.479908 1.096971
O -0.521536 0.962289 2.549754
O -2.906545 1.648365 2.076467
O -4.874494 1.400600 -0.294501
N -3.809282 -0.626252 -0.480330
N -5.335656 0.176850 -2.216104
N -5.706680 -1.107964 -4.121107
C 3.362828 -0.402598 0.343763
C 5.868208 -0.279218 0.527675
C 4.437939 1.577269 1.462092
C 4.636285 1.271443 -1.034511
C 4.652812 -1.231389 0.545175
C 3.218079 0.630934 1.487692
C 3.417775 0.322654 -1.018778
C 5.729636 0.755894 1.664873
C 5.929330 0.452291 -0.831023
C 4.496773 2.306643 0.102477
C 2.159777 -1.343604 0.422403
C -0.199438 -1.454665 -0.151581
C -0.887529 -0.985182 1.136716
C -0.941841 0.558884 1.261752
C -2.413621 0.933465 0.947908
C -3.186651 -0.417479 0.865806
C -3.604755 -1.800791 -1.178925
C -4.740501 0.421132 -0.998818
C -4.217467 -2.004140 -2.391004
C -5.088888 -0.975757 -2.898430
H 6.798787 -0.871749 0.674530
H 4.337396 2.323803 2.281702
H 4.678286 1.797392 -2.014266
H 4.607287 -1.787050 1.500806
H 4.750489 -1.996513 -0.245124
H 3.149625 0.122105 2.466743
H 2.279831 1.206350 1.375722
H 3.486433 -0.407587 -1.843730
H 2.482687 0.889471 -1.187612
H 6.608005 1.424214 1.681968
H 5.710379 0.247891 2.644954
H 6.810794 1.115894 -0.867268
H 6.056848 -0.273960 -1.652194
H 5.346629 3.010883 0.084126
H 3.588307 2.916783 -0.043618
H -0.720707 -1.124805 -1.067025
H -0.055758 -2.551555 -0.161315
H -0.452766 -1.462799 2.044588
H -0.209025 1.056586 0.581972
H -2.511175 1.555725 0.032664
H -3.968298 -0.522803 1.658668
H -1.287539 1.020612 3.179224
H -3.730325 2.140747 1.811679
H -2.939594 -2.556268 -0.727547
H -4.055095 -2.918429 -2.949558
H -6.346615 -0.395395 -4.446272
H -5.645434 -1.958628 -4.649459


%chk=000272892-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272892

0 1
O 1.374800 -0.103490 -0.492425
O 2.193137 -2.197927 0.112125
O -2.047012 -1.447527 0.306028
O -1.275121 0.693075 2.510115
O -3.308619 1.827881 1.304322
O -5.518656 0.870446 0.285256
N -4.173815 -0.834345 -0.595811
N -6.379818 -0.392113 -1.487831
N -7.210328 -1.640763 -3.256806
C 3.690363 -0.215885 0.232393
C 6.120770 -0.467194 0.933888
C 4.795560 1.556731 1.691346
C 5.471884 1.320014 -0.742790
C 4.800393 -1.226064 0.641653
C 3.468153 0.807266 1.398686
C 4.146389 0.569455 -1.041867
C 5.894766 0.536532 2.096207
C 6.571413 0.300392 -0.338227
C 5.246435 2.324910 0.419444
C 2.393256 -0.971300 -0.036796
C 0.047200 -0.724049 -0.727785
C -0.767506 -0.706081 0.577027
C -1.175480 0.695151 1.056265
C -2.592134 0.905553 0.453127
C -3.176905 -0.542945 0.482015
C -3.982246 -1.849838 -1.507465
C -5.406030 -0.067837 -0.576156
C -4.957135 -2.157376 -2.439108
C -6.178613 -1.388382 -2.386435
H 6.900114 -1.199740 1.221858
H 4.624960 2.272713 2.519189
H 5.785696 1.867637 -1.653425
H 4.475243 -1.794635 1.533269
H 4.949663 -1.964853 -0.168899
H 3.125407 0.271236 2.305826
H 2.674092 1.523856 1.117026
H 4.291992 -0.137918 -1.882741
H 3.356423 1.283253 -1.339877
H 6.838265 1.069768 2.328318
H 5.590913 -0.006676 3.013397
H 7.525864 0.829929 -0.145452
H 6.754562 -0.412920 -1.167155
H 6.183018 2.880589 0.624837
H 4.478037 3.070873 0.133200
H -0.417727 -0.108848 -1.515646
H 0.177479 -1.765449 -1.068692
H -0.236318 -1.249865 1.375198
H -0.460824 1.468179 0.713617
H -2.534751 1.261945 -0.596250
H -3.670866 -0.721339 1.457843
H -2.034104 1.311325 2.721216
H -4.291031 1.683638 1.085193
H -3.032387 -2.381324 -1.426493
H -4.801218 -2.962899 -3.158775
H -8.053860 -1.075180 -3.171325
H -7.153643 -2.369185 -3.963248


