%chk=000216499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216499

0 1
O -0.822521 -0.991379 -1.725201
N -3.273621 -0.730808 0.104911
N 0.177495 -0.270162 0.180440
C -4.326308 -1.135166 1.098927
C -3.087834 0.760421 0.102408
C -1.982786 -1.441593 0.409149
C -5.665898 -0.470122 0.744024
C -4.413633 1.455001 -0.251441
C -5.531681 1.056581 0.717892
C -2.107376 -2.967284 0.169752
C -0.868124 -0.907058 -0.513641
C -2.637718 -3.328760 -1.211955
C 1.383932 0.212614 -0.541671
C 1.672091 1.678399 -0.257122
C 2.538309 -0.708629 -0.175037
C 2.957832 2.182062 -0.516445
C 3.205534 -0.578175 1.051463
C 0.672440 2.550601 0.193720
C 2.908532 -1.727272 -1.064051
C 3.240579 3.533248 -0.308241
C 4.240828 -1.456637 1.381137
C 0.960193 3.903464 0.403201
C 3.945649 -2.603195 -0.730518
C 2.243252 4.397767 0.156127
C 4.613006 -2.469543 0.491013
H -4.442382 -2.240606 1.042927
H -4.046219 -0.886188 2.145008
H -2.700601 1.148423 1.067796
H -2.341270 1.011344 -0.686123
H -1.683771 -1.293916 1.483365
H -6.439174 -0.781960 1.468646
H -6.001317 -0.830871 -0.249959
H -4.702457 1.176819 -1.286432
H -4.268707 2.550264 -0.251412
H -5.316630 1.440992 1.732262
H -6.487325 1.519344 0.409532
H -1.111299 -3.430209 0.322371
H -2.768288 -3.400367 0.947123
H 0.225836 -0.248447 1.192334
H -2.003720 -2.899930 -2.005743
H -3.639231 -2.907819 -1.376886
H -2.685572 -4.410328 -1.357572
H 1.169937 0.133524 -1.654960
H 3.741367 1.517330 -0.881640
H 2.924752 0.216115 1.741883
H -0.338467 2.187270 0.372658
H 2.383825 -1.842590 -2.013395
H 4.240280 3.914699 -0.510301
H 4.759456 -1.351047 2.332443
H 0.177644 4.573364 0.755551
H 4.231851 -3.392238 -1.424360
H 2.465346 5.450234 0.318842
H 5.420267 -3.152285 0.748804


%chk=000216499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216499

0 1
O -0.942761 -0.647212 -1.695079
N -3.326019 -0.656282 0.123996
N 0.212537 -0.090600 0.243278
C -4.406402 -1.157617 1.011590
C -3.359291 0.827298 0.021848
C -1.988121 -1.164552 0.507168
C -5.795313 -0.718018 0.503837
C -4.716091 1.323050 -0.516055
C -5.877379 0.818048 0.367808
C -1.888006 -2.724176 0.496081
C -0.889267 -0.604939 -0.428699
C -2.372043 -3.387543 -0.809590
C 1.439838 0.336099 -0.465745
C 1.831697 1.781313 -0.119494
C 2.546266 -0.709187 -0.251344
C 3.134025 2.258855 -0.421542
C 3.375707 -0.695452 0.899195
C 0.885256 2.689447 0.416643
C 2.689881 -1.764398 -1.186661
C 3.482472 3.605656 -0.182304
C 4.328042 -1.717025 1.110070
C 1.234083 4.037275 0.662565
C 3.644992 -2.784870 -0.980533
C 2.534968 4.501567 0.365696
C 4.466858 -2.765197 0.170115
H -4.365385 -2.259622 1.043617
H -4.265284 -0.787072 2.064026
H -3.167118 1.301206 1.024342
H -2.555732 1.148119 -0.663298
H -1.730052 -0.831671 1.554978
H -6.571414 -1.094151 1.198302
H -5.972934 -1.185151 -0.484182
H -4.842711 0.945479 -1.548591
H -4.708000 2.429231 -0.561199
H -5.806396 1.282879 1.373581
H -6.852585 1.119056 -0.059394
H -0.826820 -2.988065 0.678245
H -2.450858 -3.125931 1.360831
H 0.230646 -0.119678 1.265491
H -1.809661 -3.001546 -1.675800
H -3.438084 -3.170319 -0.994198
H -2.238785 -4.484024 -0.754621
H 1.148561 0.307782 -1.535727
H 3.876301 1.573880 -0.846464
H 3.287359 0.123365 1.623734
H -0.131488 2.341051 0.629615
H 2.043874 -1.786141 -2.072813
H 4.492362 3.956118 -0.423888
H 4.963486 -1.694452 2.002764
H 0.488320 4.724188 1.078895
H 3.748056 -3.591715 -1.714761
H 2.806110 5.546460 0.553694
H 5.208606 -3.555519 0.331579


