%chk=000269323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269323

0 1
O 7.628071 1.921434 -1.465160
O 4.485401 2.159142 1.475200
O 6.462333 0.311848 -2.503667
O 6.921185 -4.223681 -0.248068
O 8.626768 -2.966650 0.473105
N 4.751441 0.561291 -0.121115
N -1.674006 0.790488 0.113029
N -6.144235 1.847240 0.000042
N -7.957178 0.464760 -0.625878
N -7.761185 -2.001240 -0.598746
N -5.825456 -3.079761 0.099126
N -9.753427 -0.920664 -1.251410
C 6.218113 0.637269 -0.054232
C 6.868936 -0.638181 0.509116
C 6.534520 -1.906209 -0.278110
C -2.635112 1.096117 1.210011
C 2.488787 1.243258 0.503492
C 3.951261 1.398470 0.686042
C 6.732754 0.889208 -1.476571
C -0.302575 1.009764 0.270379
C -4.033839 0.857761 0.721813
C 1.671933 1.308779 1.646257
C 1.896604 1.090445 -0.762094
C 0.291802 1.188149 1.543346
C 0.520413 0.975545 -0.888752
C -4.528524 -0.417132 0.538632
C -5.851726 -0.607078 0.076015
C 7.499996 -3.006293 0.041546
C -4.896357 1.969748 0.430306
C -6.664434 0.559212 -0.187598
C -6.479798 -1.891774 -0.151780
C -8.458257 -0.806371 -0.810907
H 6.507910 1.517260 0.607084
H 6.552563 -0.757705 1.568551
H 7.974052 -0.495935 0.551423
H 5.493153 -2.242356 -0.076545
H 6.562689 -1.718934 -1.382190
H 4.352537 -0.149947 -0.726518
H -2.509245 2.143178 1.575202
H -2.405428 0.431477 2.078456
H -2.061537 0.870878 -0.826437
H 2.136367 1.462109 2.625506
H 2.519820 1.078398 -1.659204
H -0.316854 1.232555 2.441021
H 0.074560 0.860367 -1.872962
H -3.897697 -1.283254 0.748209
H -4.525901 2.998071 0.564240
H 8.002859 2.127338 -2.366010
H 7.530689 -4.990366 -0.075817
H -6.276566 -3.957057 -0.123775
H -4.842032 -3.103794 0.297622
H -10.169330 -1.826495 -1.393624
H -10.306319 -0.092881 -1.418802


%chk=000269323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269323

0 1
O 8.264464 1.196485 -1.421017
O 4.476817 1.127018 1.951886
O 6.261029 1.101449 -2.589643
O 6.668936 -4.197322 -0.500762
O 7.525991 -3.204833 1.415258
N 4.810899 0.756761 -0.307134
N -1.728790 1.146132 0.052181
N -6.448588 1.784570 0.353543
N -8.083385 0.222768 -0.304378
N -7.507591 -2.149033 -0.653014
N -5.362789 -2.981600 -0.356860
N -9.677340 -1.350488 -0.960032
C 6.267086 0.758582 -0.139418
C 6.821179 -0.557971 0.487620
C 6.487290 -1.803748 -0.350005
C -2.694921 1.507913 1.101737
C 2.505093 1.011320 0.533220
C 3.978651 0.972269 0.785920
C 6.885531 1.035685 -1.504251
C -0.346599 1.125384 0.228931
C -4.104178 1.098313 0.709441
C 1.661872 1.337890 1.626587
C 1.892580 0.744117 -0.723909
C 0.266343 1.403692 1.488880
C 0.499509 0.797883 -0.876347
C -4.426877 -0.228936 0.378146
C -5.759356 -0.567994 0.029848
C 6.956527 -3.084598 0.309596
C -5.167868 2.054473 0.675221
C -6.771702 0.475615 0.024652
C -6.220095 -1.905630 -0.329684
C -8.376933 -1.064936 -0.624369
H 6.549807 1.577162 0.552245
H 6.379962 -0.644738 1.494584
H 7.913009 -0.456163 0.613246
H 5.394803 -1.883849 -0.511143
H 6.940037 -1.763787 -1.360351
H 4.462736 0.771742 -1.269009
H -2.672938 2.598257 1.320303
H -2.401327 0.991522 2.038061
H -2.089920 1.106478 -0.901968
H 2.140138 1.545630 2.589700
H 2.490083 0.473189 -1.602868
H -0.343090 1.685273 2.352636
H 0.049278 0.579451 -1.852802
H -3.629016 -0.982662 0.395932
H -4.954016 3.103241 0.925165
H 8.638475 1.373248 -2.326519
H 6.984151 -5.022690 -0.041209
H -5.750666 -3.888108 -0.611842
H -4.380566 -2.906765 -0.112427
H -9.933929 -2.303546 -1.201510
H -10.359295 -0.596316 -0.953270


