%chk=000217114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217114

0 1
O -3.534464 -1.361442 1.097846
O 0.851706 -3.017138 -0.761968
O 5.745549 1.183725 -0.274240
N 0.513905 -0.776208 -0.220950
N -3.863453 0.701955 0.200442
N -6.186399 1.522285 -1.315675
C -0.637471 0.107064 0.164247
C -1.855105 -0.643464 -0.477543
C -1.414209 -2.114945 -0.561161
C -0.769793 0.254681 1.689061
C -3.151120 -0.505791 0.314478
C 0.103487 -2.092322 -0.534903
C 0.405625 0.999039 2.333388
C 1.869791 -0.309698 -0.215986
C -5.206126 0.786797 0.846272
C -3.737485 1.626273 -0.955495
C -6.333422 0.558446 -0.181026
C -4.859142 1.377096 -1.988451
C 0.143136 1.276618 3.811822
C 2.924858 -1.208058 0.023618
C 2.145387 1.050630 -0.479379
C 4.246983 -0.759875 0.011451
C 3.456335 1.506938 -0.485347
C 4.503222 0.593864 -0.238414
C 6.916345 0.334007 -0.049588
C 8.073799 1.305752 -0.170582
H -0.511736 1.111974 -0.307743
H -2.005458 -0.252964 -1.514100
H -1.804864 -2.707092 0.300264
H -1.786347 -2.625872 -1.465900
H -0.882655 -0.744661 2.159009
H -1.711342 0.794714 1.923218
H 0.596383 1.951638 1.802312
H 1.335298 0.402078 2.228414
H -5.298398 1.798051 1.302775
H -5.272976 0.034978 1.667403
H -2.741754 1.536094 -1.434845
H -3.818185 2.668823 -0.562040
H -7.316583 0.756337 0.300859
H -6.337243 -0.505168 -0.504254
H -4.802827 2.147082 -2.789553
H -4.716882 0.388076 -2.473872
H -6.933355 1.357090 -2.000343
H 0.996736 1.785850 4.273989
H -0.025889 0.349511 4.372595
H -0.737384 1.912033 3.958113
H 2.713828 -2.268025 0.203187
H 1.333584 1.747781 -0.682154
H 5.049138 -1.468470 0.192824
H 3.695096 2.550208 -0.681194
H 6.835247 -0.112476 0.956115
H 6.932564 -0.450155 -0.825813
H 7.993579 2.114511 0.569348
H 8.086975 1.787497 -1.158504
H 9.035710 0.802427 -0.023529


%chk=000217114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217114

0 1
O -3.665993 -1.429227 1.258926
O 0.944434 -3.187858 -0.422803
O 5.716105 1.361252 -0.483673
N 0.505455 -0.876674 -0.021010
N -3.960797 0.477288 -0.035965
N -5.959275 1.908228 -1.473279
C -0.687265 -0.044545 0.342744
C -1.860662 -0.877837 -0.296369
C -1.373530 -2.331667 -0.145523
C -0.847464 0.143346 1.874569
C -3.228680 -0.637506 0.361762
C 0.150571 -2.227766 -0.214693
C 0.308705 0.883237 2.583978
C 1.834618 -0.343444 -0.120300
C -5.280966 0.743223 0.587608
C -3.575112 1.480996 -1.052582
C -6.364466 0.866464 -0.502381
C -4.676206 1.594709 -2.132483
C 0.007249 1.101255 4.082820
C 2.974337 -1.175837 0.034556
C 2.041388 1.036079 -0.405167
C 4.277851 -0.647585 -0.082827
C 3.337393 1.565521 -0.516488
C 4.468475 0.728940 -0.354588
C 6.923362 0.527044 -0.325920
C 8.125627 1.449534 -0.508662
H -0.615234 0.947784 -0.138335
H -1.898549 -0.633959 -1.374078
H -1.700489 -2.752653 0.822578
H -1.735387 -3.007541 -0.936432
H -0.998187 -0.846785 2.347100
H -1.787185 0.708297 2.043752
H 0.487507 1.862072 2.094752
H 1.247067 0.308622 2.476035
H -5.226413 1.692743 1.155845
H -5.496028 -0.085485 1.280391
H -2.614111 1.216167 -1.518199
H -3.466343 2.468294 -0.559954
H -7.320174 1.161589 -0.033351
H -6.503200 -0.136646 -0.975109
H -4.416394 2.410437 -2.831558
H -4.702047 0.635762 -2.708975
H -6.703162 2.157242 -2.135514
H 0.840682 1.623241 4.587157
H -0.149504 0.135895 4.599709
H -0.907915 1.707312 4.223395
H 2.834347 -2.241398 0.222534
H 1.193980 1.713237 -0.546182
H 5.128408 -1.324401 0.041246
H 3.494607 2.626759 -0.732373
H 6.922235 0.062193 0.681777
H 6.915464 -0.280908 -1.086513
H 8.117614 2.253293 0.247160
H 8.111244 1.913898 -1.509394
H 9.064216 0.875871 -0.401218


