%chk=000213920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213920

0 1
O -0.581145 1.346455 2.353308
N -2.481419 -0.504482 0.308638
N 0.402898 0.733952 0.382446
C -3.421972 0.625416 0.619725
C -3.230069 -1.795494 0.131546
C -4.421249 0.797474 -0.534851
C -4.224383 -1.656876 -1.033313
C -5.200000 -0.498496 -0.791183
C -1.462329 -0.655444 1.394107
C -0.532292 0.559648 1.421583
C 0.447447 -0.205390 -0.772605
C 1.370416 1.807996 0.413507
C 1.179535 -1.486107 -0.443015
C 1.940725 2.216098 1.634329
C 1.750200 2.441749 -0.785199
C 0.610918 -2.715335 -0.809293
C 2.428570 -1.460800 0.193590
C 2.885806 3.242304 1.644306
C 2.701551 3.462757 -0.756025
C 3.274873 3.865071 0.453638
C 1.288117 -3.907768 -0.539805
C 3.099269 -2.656116 0.465343
C 2.531643 -3.880939 0.099279
H -2.817622 1.553606 0.734430
H -3.965176 0.479675 1.578007
H -3.768235 -2.108628 1.052160
H -2.491288 -2.592501 -0.100947
H -3.876213 1.094269 -1.453203
H -5.114043 1.627072 -0.302642
H -4.774960 -2.605965 -1.165407
H -3.667789 -1.482536 -1.975682
H -5.856034 -0.725582 0.070420
H -5.869381 -0.375286 -1.662506
H -1.904539 -0.751307 2.414226
H -0.869316 -1.583023 1.220656
H 0.948102 0.283228 -1.643604
H -0.600827 -0.409018 -1.113901
H 1.623894 1.754519 2.572470
H 1.300510 2.148004 -1.732185
H -0.356631 -2.742688 -1.308250
H 2.875705 -0.507846 0.479477
H 3.321460 3.560111 2.591451
H 2.993265 3.951328 -1.684973
H 4.014191 4.661902 0.470228
H 0.845996 -4.859651 -0.828953
H 4.068131 -2.632126 0.962307
H 3.057092 -4.810131 0.310063


%chk=000213920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213920

0 1
O -0.488071 1.291495 2.534095
N -2.462549 -0.512382 0.358218
N 0.408665 0.700493 0.447585
C -3.346438 0.668346 0.569809
C -3.254399 -1.761458 0.180870
C -4.303240 0.858496 -0.623164
C -4.210998 -1.642036 -1.022749
C -5.141407 -0.417620 -0.864773
C -1.459323 -0.660944 1.445585
C -0.473670 0.521462 1.525587
C 0.428410 -0.269930 -0.683940
C 1.330765 1.818488 0.423225
C 1.173617 -1.571264 -0.379877
C 2.084664 2.166391 1.573619
C 1.489774 2.574141 -0.766394
C 0.728910 -2.780203 -0.972444
C 2.322562 -1.598890 0.450339
C 2.991350 3.246371 1.521915
C 2.405593 3.647657 -0.812457
C 3.163066 3.989150 0.330848
C 1.420515 -3.992371 -0.749158
C 3.013159 -2.810267 0.678210
C 2.566370 -4.011204 0.078956
H -2.713036 1.563428 0.701922
H -3.942192 0.547939 1.511592
H -3.851263 -1.990093 1.102600
H -2.548880 -2.600878 0.030102
H -3.707176 1.088026 -1.528020
H -4.960388 1.727236 -0.427615
H -4.801666 -2.573826 -1.114275
H -3.611487 -1.533519 -1.947986
H -5.818091 -0.580995 -0.000442
H -5.781967 -0.300059 -1.759072
H -1.932367 -0.713553 2.453024
H -0.904066 -1.603143 1.278550
H 0.918628 0.225832 -1.539222
H -0.617572 -0.485472 -0.969485
H 1.943429 1.608252 2.501611
H 0.881914 2.345312 -1.648792
H -0.162704 -2.771391 -1.613176
H 2.675988 -0.672942 0.916910
H 3.566491 3.506546 2.417539
H 2.515695 4.223280 -1.738261
H 3.870315 4.824903 0.296471
H 1.063544 -4.918647 -1.213668
H 3.900228 -2.817231 1.321850
H 3.102703 -4.949831 0.257636


