%chk=000189556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189556

0 1
O 1.833008 -2.074739 -0.806445
O -5.521010 -0.292499 1.872077
O -4.918813 -1.965681 0.516141
N 1.429121 0.081918 0.015649
C 2.260390 1.242519 0.489491
C 3.675026 0.740451 0.341293
C -4.309873 0.375248 -0.044773
C 0.006742 0.149681 0.007222
C 3.658445 -0.579351 -0.169820
C -2.802990 0.281990 -0.012793
C 2.250712 -1.022041 -0.384926
C -4.866194 0.337261 -1.485417
C -0.649858 1.336786 0.389724
C -0.754986 -0.973621 -0.383345
C -2.045008 1.392317 0.377063
C -2.142866 -0.900262 -0.390502
C 4.871965 1.377795 0.626303
C 4.834791 -1.276523 -0.401697
C -4.904113 -0.779597 0.740208
C -4.469091 1.580092 -2.272790
C 6.065790 0.670918 0.391263
C 6.050089 -0.631678 -0.113243
H 2.016663 1.493087 1.545427
H 2.072027 2.141386 -0.137816
H -4.640020 1.334537 0.441430
H -4.500470 -0.574201 -2.002876
H -5.970743 0.247577 -1.454769
H -0.095186 2.217814 0.696693
H -0.258501 -1.904793 -0.681083
H -2.540938 2.316201 0.675564
H -2.728449 -1.778001 -0.682877
H 4.898174 2.390662 1.019295
H 4.812552 -2.293776 -0.795695
H -4.875837 2.495345 -1.828547
H -3.377449 1.693189 -2.319685
H -4.835043 1.524791 -3.305152
H 7.019846 1.153417 0.608823
H 6.988668 -1.157423 -0.286328
H -5.918973 -1.008195 2.435012


%chk=000189556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189556

0 1
O 1.877316 -2.101364 -0.884396
O -5.307849 -0.238461 2.077394
O -5.147245 -1.891090 0.456768
N 1.442453 0.083866 0.021429
C 2.249062 1.224583 0.527767
C 3.677911 0.742587 0.375443
C -4.369762 0.411716 -0.059455
C 0.020251 0.141004 0.000852
C 3.669081 -0.557864 -0.173140
C -2.838521 0.307491 -0.020021
C 2.265047 -0.997970 -0.406239
C -4.941652 0.328634 -1.507142
C -0.644673 1.314635 0.452373
C -0.765987 -0.955650 -0.457899
C -2.052004 1.388323 0.440633
C -2.169797 -0.862693 -0.462630
C 4.891179 1.381103 0.686476
C 4.861070 -1.262833 -0.429338
C -4.968359 -0.700209 0.796749
C -4.471181 1.497284 -2.395380
C 6.097763 0.681133 0.433356
C 6.084431 -0.626624 -0.118999
H 1.992959 1.444623 1.582781
H 2.052316 2.136889 -0.069065
H -4.667279 1.373367 0.395709
H -4.644447 -0.639160 -1.950901
H -6.047842 0.321762 -1.451423
H -0.077073 2.176538 0.815628
H -0.265908 -1.862983 -0.801151
H -2.542081 2.302269 0.796680
H -2.755422 -1.723986 -0.804529
H 4.914442 2.390445 1.112421
H 4.822491 -2.270659 -0.855098
H -4.791557 2.471643 -1.979651
H -3.370494 1.513376 -2.486441
H -4.895944 1.409120 -3.411585
H 7.056879 1.156402 0.667258
H 7.032237 -1.143389 -0.304239
H -5.654212 -1.001257 2.617104


