%chk=000216221.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216221

0 1
O 6.626510 0.125094 -0.490677
O 0.252300 1.010719 0.116058
O -4.471287 1.542654 -0.086623
O -2.857239 -2.762821 0.326439
N 3.863884 0.483281 0.134669
C 4.323420 0.356378 -1.288064
C 4.931166 1.138300 0.960164
C 2.573164 1.235299 0.218568
C 5.609599 -0.484786 -1.311526
C 6.203970 0.279301 0.879325
C 1.453823 0.183060 0.221438
C -0.972889 0.396260 0.127099
C -1.164010 -0.987468 0.235171
C -2.032985 1.312665 0.015280
C -3.334568 0.792070 0.014322
C -2.493845 -1.448764 0.229141
C -3.592021 -0.585449 0.119790
C -4.339391 2.999614 -0.201660
C -1.807193 -3.778292 0.452274
C -5.778311 3.466731 -0.289556
C -2.591940 -5.072167 0.536233
H 3.527183 -0.151835 -1.871932
H 4.509738 1.339717 -1.772080
H 5.156847 2.176029 0.632978
H 4.579559 1.188902 2.012876
H 2.409288 1.957751 -0.611006
H 2.512916 1.835897 1.152031
H 5.432204 -1.515627 -0.957686
H 6.083865 -0.495537 -2.308371
H 7.073785 0.777849 1.341495
H 6.051420 -0.720357 1.323230
H 1.494416 -0.493862 -0.647142
H 1.417369 -0.392155 1.160844
H -0.333285 -1.667832 0.320842
H -1.814972 2.368083 -0.064234
H -4.607949 -0.966047 0.117120
H -3.757019 3.223093 -1.111771
H -3.819376 3.371526 0.697625
H -1.163351 -3.723179 -0.441876
H -1.228276 -3.566456 1.367286
H -6.289682 3.020503 -1.154441
H -5.840545 4.556620 -0.380689
H -6.350230 3.163721 0.599140
H -1.928366 -5.937997 0.635615
H -3.278699 -5.066023 1.394872
H -3.215399 -5.218363 -0.357495


%chk=000216221-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216221

0 1
O 6.651838 -0.090387 -0.463787
O 0.206386 1.138069 0.129387
O -4.630809 1.575714 -0.051531
O -2.817795 -2.803229 0.248989
N 3.882182 0.510676 0.179252
C 4.283903 0.084042 -1.187543
C 5.001293 1.232776 0.838546
C 2.605697 1.263069 0.200830
C 5.539004 -0.800977 -1.114652
C 6.245237 0.330427 0.888007
C 1.411045 0.299218 0.207374
C -1.046884 0.497561 0.125696
C -1.205601 -0.906422 0.198159
C -2.154904 1.371656 0.041974
C -3.454997 0.813808 0.029580
C -2.527671 -1.429397 0.183125
C -3.651146 -0.584395 0.099439
C -4.496964 3.042714 -0.132821
C -1.690827 -3.748994 0.341532
C -5.911534 3.609486 -0.220182
C -2.295897 -5.149382 0.399037
H 3.461430 -0.489122 -1.654791
H 4.496421 0.968833 -1.839402
H 5.259785 2.177765 0.297883
H 4.700395 1.498693 1.869410
H 2.504696 1.963981 -0.661602
H 2.565085 1.874666 1.120317
H 5.306573 -1.730346 -0.550910
H 5.903455 -1.058637 -2.122787
H 7.112883 0.869960 1.302270
H 6.028615 -0.565272 1.509416
H 1.445350 -0.390874 -0.660715
H 1.409875 -0.299605 1.139258
H -0.340355 -1.567043 0.267846
H -1.966065 2.445645 -0.010169
H -4.659485 -1.002928 0.088669
H -3.899598 3.310145 -1.028869
H -3.967868 3.416382 0.768063
H -1.033742 -3.632780 -0.545673
H -1.096371 -3.530918 1.253223
H -6.430689 3.222740 -1.113631
H -5.876160 4.712383 -0.284033
H -6.499123 3.328336 0.670400
H -1.495141 -5.908340 0.466182
H -2.952613 -5.253080 1.279472
H -2.895310 -5.350520 -0.505145


