%chk=000297862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297862

0 1
O -3.362620 1.373110 -2.590573
O -4.585920 2.838904 -1.427174
O -5.106911 -1.621246 0.084360
O 2.831392 -0.970081 0.708796
O -0.765464 -1.951786 -1.068993
O 1.141029 -1.024449 2.263193
N -3.303081 -0.483728 -0.747591
N -2.276623 -3.334265 -0.059746
N 1.355259 -2.665763 0.593349
C -1.316771 1.515695 0.365097
C -2.806181 1.441549 0.769656
C -3.763599 0.830588 -0.270719
C -0.463992 1.703501 1.626239
C -1.055302 2.644740 -0.636945
C -3.971242 1.800030 -1.434311
C -4.029866 -1.635673 -0.485730
C -3.366408 -2.937059 -0.969004
C -1.014972 -2.750190 -0.180392
C 0.016627 -3.229576 0.842518
C 3.751118 1.180013 0.349812
C 3.472421 0.154357 1.408939
C 1.686713 -1.478699 1.277336
C 4.927660 1.103026 -0.410226
C 2.836728 2.216696 0.116350
C 5.190760 2.067382 -1.387169
C 3.103888 3.179153 -0.859833
C 4.281948 3.106782 -1.610927
H -1.015003 0.547048 -0.112318
H -3.171185 2.454512 1.040409
H -2.894800 0.839866 1.699781
H -4.784994 0.701187 0.215517
H 0.587473 1.912241 1.367809
H -0.451242 0.796186 2.247002
H -0.815352 2.533698 2.245755
H -1.519359 2.439180 -1.608392
H 0.017968 2.765017 -0.826442
H -1.433692 3.608201 -0.279498
H -2.389320 -0.511128 -1.224481
H -4.140761 -3.739857 -1.001089
H -2.977678 -2.820826 -2.011108
H -2.548911 -3.883424 0.749847
H -3.521324 1.992166 -3.354352
H 0.110153 -4.343604 0.811757
H -0.315225 -2.964928 1.881832
H 1.691004 -2.752206 -0.373641
H 2.812827 0.521601 2.220020
H 4.385511 -0.291290 1.844505
H 5.632388 0.289095 -0.245418
H 1.904281 2.265304 0.695769
H 6.104391 2.006979 -1.976598
H 2.393813 3.985554 -1.037150
H 4.489841 3.857715 -2.371532


%chk=000297862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297862

0 1
O -3.251028 0.162340 -3.305376
O -3.709734 2.413365 -2.972531
O -4.993161 -0.600118 1.041802
O 3.039265 -1.239700 -0.561131
O -1.385553 -2.480042 -1.116021
O 2.592570 -1.825469 1.689160
N -3.525838 -0.524390 -0.774583
N -2.374941 -2.794412 0.961166
N 1.107440 -2.316751 -0.055871
C -1.398031 1.516603 0.030731
C -2.907785 1.843493 -0.103517
C -3.749099 0.902873 -1.030480
C -0.766325 2.471344 1.073313
C -0.624362 1.588048 -1.307941
C -3.574449 1.264737 -2.501906
C -4.156326 -1.161794 0.267782
C -3.749454 -2.646456 0.438936
C -1.280840 -2.707614 0.135782
C 0.089483 -2.921611 0.792496
C 4.014783 0.921164 0.214289
C 4.286787 -0.531747 -0.113502
C 2.265003 -1.799255 0.470238
C 4.122245 1.916973 -0.789737
C 3.643219 1.302943 1.530107
C 3.860440 3.272385 -0.488603
C 3.381491 2.657810 1.832344
C 3.489739 3.645328 0.824559
H -1.308114 0.480596 0.421464
H -3.039476 2.878235 -0.475351
H -3.372520 1.790536 0.899095
H -4.810945 1.115422 -0.788167
H 0.302694 2.236596 1.228130
H -1.281119 2.400498 2.050207
H -0.833372 3.522259 0.730846
H -0.961323 0.819461 -2.027771
H 0.455767 1.423823 -1.136106
H -0.745582 2.581247 -1.781217
H -2.856678 -1.053349 -1.352702
H -4.454504 -3.106325 1.147738
H -3.804981 -3.170561 -0.531569
H -2.242976 -2.866333 1.971821
H -3.151754 0.461101 -4.249504
H 0.255805 -4.012842 0.918165
H 0.141410 -2.470563 1.800781
H 0.882772 -2.194139 -1.047635
H 4.692323 -1.077544 0.755703
H 4.953161 -0.639681 -0.983691
H 4.409625 1.628287 -1.808430
H 3.548112 0.529473 2.300498
H 3.947771 4.034237 -1.271257
H 3.097306 2.944410 2.851120
H 3.288454 4.696407 1.060620


