%chk=000288043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288043

0 1
O -4.228491 1.708640 0.598772
O -3.328280 0.566862 -1.215389
N -1.280083 -0.494969 0.545301
N 4.863491 1.676346 -0.086656
C 0.045383 -0.014359 0.361238
C 0.871910 -1.157613 0.003616
C 0.003671 -2.326788 -0.063875
C -1.314440 -1.882092 0.266298
C 0.576928 1.286793 0.459025
C 2.005389 1.419878 0.282432
C 2.841546 0.273241 -0.052760
C 2.241457 -1.010365 -0.207509
C -2.434686 0.213267 1.071641
C 0.231648 -3.687382 -0.364897
C -2.410157 -2.768477 0.297603
C -0.271624 2.527371 0.700950
C 4.268671 0.471870 -0.231167
C 2.685438 2.678479 0.431329
C -0.857090 -4.585983 -0.330497
C -2.161708 -4.127086 -0.002862
C -3.343789 0.821790 -0.008910
C 4.063339 2.755874 0.246477
C 5.181193 -0.683804 -0.592933
C -5.222344 2.386681 -0.297765
C -4.616305 3.649476 -0.914163
H 2.853777 -1.873546 -0.483601
H -3.051371 -0.489613 1.664279
H -2.131791 1.008343 1.768629
H 1.235640 -4.043214 -0.621409
H -3.428007 -2.430595 0.516865
H -0.373736 2.770078 1.777281
H 0.176965 3.408342 0.213702
H -1.282220 2.426758 0.276018
H 2.141039 3.585033 0.707848
H -0.699731 -5.644261 -0.563690
H -2.995526 -4.837904 0.006748
H 4.592468 3.708075 0.364219
H 4.894944 -1.144131 -1.557720
H 6.210424 -0.303603 -0.674647
H 5.156465 -1.480807 0.174337
H -5.536211 1.668598 -1.075552
H -6.063423 2.613060 0.376334
H -5.385581 4.178260 -1.506756
H -4.253296 4.336522 -0.130400
H -3.780592 3.396156 -1.587883


%chk=000288043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288043

0 1
O -4.439508 0.972709 0.179161
O -2.737762 2.002042 -1.047072
N -1.124597 -0.086461 0.502390
N 5.244295 1.304920 -0.072521
C 0.253158 0.222614 0.331251
C 0.937988 -1.022379 0.018520
C -0.066828 -2.078305 -0.037603
C -1.324947 -1.466891 0.259236
C 0.933240 1.454548 0.396890
C 2.370180 1.408398 0.246133
C 3.066610 0.158445 -0.037876
C 2.318717 -1.047629 -0.170563
C -2.201580 0.747728 1.028504
C -0.007265 -3.464489 -0.299607
C -2.525067 -2.206851 0.297330
C 0.217961 2.788389 0.552748
C 4.510238 0.177382 -0.193033
C 3.195545 2.579849 0.369269
C -1.201126 -4.218843 -0.261238
C -2.442800 -3.593735 0.034247
C -3.114871 1.318590 -0.070020
C 4.575468 2.483777 0.210883
C 5.281197 -1.091334 -0.502436
C -5.465001 1.501166 -0.783374
C -5.895671 2.916025 -0.390774
H 2.826931 -1.985590 -0.411920
H -2.818085 0.156148 1.726167
H -1.777202 1.592691 1.591376
H 0.947732 -3.950398 -0.528178
H -3.491178 -1.735333 0.504388
H 0.047302 3.062658 1.613078
H 0.807735 3.603799 0.104552
H -0.749586 2.782900 0.023289
H 2.759250 3.553942 0.604904
H -1.173464 -5.294661 -0.463895
H -3.357741 -4.196532 0.052596
H 5.214388 3.368303 0.310090
H 4.958255 -1.542736 -1.459873
H 6.350402 -0.841581 -0.573009
H 5.145971 -1.855749 0.286247
H -5.030449 1.475359 -1.797797
H -6.289187 0.775596 -0.700653
H -6.711372 3.251872 -1.057332
H -6.267942 2.942729 0.647763
H -5.058029 3.626123 -0.492336


