%chk=000228369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228369

0 1
O 0.180289 1.976315 0.618071
O -4.694693 1.849385 -0.379376
O -4.139724 -0.304461 0.032103
N 1.092430 -0.020998 0.037770
N 4.613505 1.322659 -0.204909
N 0.210070 -3.679850 0.028182
C 2.437201 0.431094 0.486111
C 0.972500 -1.411494 -0.459280
C 3.235269 1.008015 -0.704483
C 0.542215 -2.370688 0.676214
C 0.009862 0.853035 0.162368
C -1.349987 0.344295 -0.282640
C -2.409448 1.431607 -0.117371
C 5.601636 1.285698 -1.324262
C 4.644765 2.656559 0.466568
C -1.251501 -3.776578 -0.262186
C 0.648995 -4.827262 0.875821
C -3.788467 0.840877 -0.133915
C -6.099594 1.481255 -0.392266
H 2.314250 1.210491 1.276918
H 2.987920 -0.416064 0.948370
H 0.254836 -1.458649 -1.308146
H 1.948764 -1.745320 -0.879139
H 2.702575 1.885934 -1.128438
H 3.293983 0.254005 -1.517062
H -0.297685 -1.938962 1.260320
H 1.379431 -2.484414 1.396848
H -1.311980 0.000752 -1.337567
H -1.634133 -0.556561 0.311383
H -2.249798 1.989944 0.839895
H -2.302568 2.219547 -0.896040
H 5.628120 0.268417 -1.746232
H 6.606193 1.491390 -0.920080
H 5.407475 1.997843 -2.139206
H 5.634614 2.797872 0.928543
H 4.443326 3.512781 -0.193783
H 3.900044 2.673967 1.279555
H -1.438685 -4.697567 -0.838120
H -1.902530 -3.788882 0.624875
H -1.557819 -2.931658 -0.898711
H 0.180230 -4.877776 1.869259
H 0.429160 -5.767753 0.344162
H 1.742425 -4.781023 1.005141
H -6.259867 0.631886 -1.064220
H -6.413074 1.234509 0.626537
H -6.582229 2.393029 -0.759784


%chk=000228369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228369

0 1
O 0.209248 2.016211 0.651993
O -4.742449 2.131703 -0.408042
O -4.236258 -0.088623 0.072517
N 1.012801 -0.067488 0.010394
N 4.566001 1.288697 -0.291485
N 0.465964 -3.844377 0.167264
C 2.376156 0.317639 0.446569
C 0.821941 -1.446552 -0.484308
C 3.185116 0.953290 -0.710003
C 0.570150 -2.456165 0.666500
C -0.009142 0.864656 0.149284
C -1.410456 0.450545 -0.327998
C -2.423067 1.591024 -0.132361
C 5.491385 1.400580 -1.438556
C 4.630032 2.486901 0.574353
C -0.824513 -4.126109 -0.498247
C 0.773863 -4.848206 1.208013
C -3.853107 1.086138 -0.144237
C -6.181851 1.774978 -0.379806
H 2.273346 1.033340 1.278633
H 2.912106 -0.577113 0.810118
H -0.008698 -1.472936 -1.208042
H 1.730984 -1.764137 -1.026391
H 2.626346 1.844609 -1.088792
H 3.248454 0.224272 -1.540898
H -0.337528 -2.142105 1.243463
H 1.426507 -2.403192 1.364582
H -1.375542 0.157371 -1.395374
H -1.759635 -0.443326 0.223821
H -2.228242 2.088448 0.837743
H -2.306429 2.384488 -0.888989
H 5.484513 0.460401 -2.018500
H 6.519879 1.565377 -1.069286
H 5.238874 2.240582 -2.134810
H 5.669844 2.638085 0.915338
H 4.292903 3.417999 0.052679
H 3.997554 2.353709 1.467649
H -0.812762 -5.153774 -0.902378
H -1.701064 -4.032256 0.191326
H -0.984195 -3.437757 -1.345721
H 0.041560 -4.853027 2.054523
H 0.777766 -5.857304 0.757935
H 1.778837 -4.657985 1.624530
H -6.403663 1.017899 -1.150776
H -6.457489 1.373197 0.609789
H -6.707740 2.717496 -0.586215


