%chk=000294306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294306

0 1
O 7.491049 0.281081 0.032163
O 2.174053 0.974712 -0.859201
N 4.651142 0.072484 0.001830
N 3.424474 -0.525629 0.382897
C -2.814913 -0.193117 -0.179319
C -1.531065 -0.853743 0.341377
C -4.065203 -0.950209 0.288036
C -0.287696 -0.093524 -0.133058
C -5.346845 -0.285281 -0.230892
C 1.001232 -0.744233 0.386393
C 5.375646 0.579829 1.223939
C 5.507626 -0.933377 -0.726505
C -6.599813 -1.042105 0.229513
C 6.684833 1.233272 0.755094
C 6.812532 -0.231079 -1.132525
C 2.218167 0.019827 -0.118745
C -7.889574 -0.377988 -0.273965
C -8.137814 0.960753 0.357078
C -8.683266 1.990332 -0.287872
H -2.862386 0.859540 0.161846
H -2.793444 -0.147673 -1.285729
H -1.552798 -0.894363 1.447431
H -1.486223 -1.905889 0.000003
H -4.019900 -2.001099 -0.056901
H -4.086321 -0.995724 1.393908
H -0.329255 0.964756 0.196899
H -0.259519 -0.046290 -1.241392
H -5.396855 0.765950 0.115339
H -5.325389 -0.231655 -1.336491
H 1.049516 -1.800425 0.053839
H 0.989634 -0.767114 1.494047
H 5.590647 -0.212483 1.970543
H 4.727699 1.338013 1.716316
H 5.732662 -1.838978 -0.125947
H 4.954491 -1.261341 -1.633996
H -6.561972 -2.086984 -0.135640
H -6.615939 -1.110380 1.334475
H 6.494652 2.111244 0.110953
H 7.338522 1.509198 1.600786
H 7.551752 -0.935960 -1.551253
H 6.626453 0.598778 -1.838666
H 3.433252 -1.332724 1.007152
H -8.755811 -1.038389 -0.052858
H -7.860455 -0.295276 -1.379770
H -7.847917 1.034346 1.407193
H -8.874533 2.945439 0.177735
H -8.979729 1.963679 -1.325458


%chk=000294306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294306

0 1
O 7.511019 0.510163 0.258482
O 2.330343 0.232397 -1.578190
N 4.677239 0.053024 0.048073
N 3.404996 -0.464933 0.388791
C -2.818155 -0.248392 -0.190547
C -1.527803 -1.035895 0.130441
C -4.109794 -1.023434 0.154789
C -0.243190 -0.254858 -0.221705
C -5.398746 -0.247948 -0.198369
C 1.043331 -1.056583 0.079536
C 5.215940 0.950383 1.101258
C 5.642870 -1.010261 -0.343743
C -6.687023 -1.022669 0.156754
C 6.540160 1.560853 0.606027
C 6.951663 -0.343786 -0.803399
C 2.299602 -0.356877 -0.464686
C -7.992307 -0.268247 -0.221558
C -8.198790 1.006013 0.572335
C -8.407661 2.241010 0.050130
H -2.809467 0.714064 0.362096
H -2.825024 0.013900 -1.268912
H -1.521290 -1.304728 1.208163
H -1.537718 -1.994984 -0.429481
H -4.107679 -1.995854 -0.381516
H -4.113026 -1.266828 1.238422
H -0.221550 0.701760 0.337744
H -0.238460 0.011502 -1.295250
H -5.401104 0.729310 0.324716
H -5.401180 -0.016424 -1.284302
H 0.973343 -2.045417 -0.418947
H 1.133720 -1.252340 1.167073
H 5.401095 0.398333 2.057300
H 4.478677 1.749796 1.291660
H 5.858014 -1.702790 0.507304
H 5.202946 -1.590684 -1.173160
H -6.678419 -2.003910 -0.360311
H -6.695689 -1.243299 1.244908
H 6.341511 2.198617 -0.280772
H 7.018191 2.160336 1.397761
H 7.725222 -1.098782 -1.018032
H 6.756354 0.263928 -1.711666
H 3.306368 -1.006114 1.262447
H -8.852720 -0.946471 -0.038734
H -7.990545 -0.038668 -1.305213
H -8.176797 0.888684 1.668669
H -8.560038 3.119007 0.688362
H -8.433030 2.408301 -1.034145


