%chk=000236277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236277

0 1
O -1.320551 -1.003423 -0.000585
O 1.320122 -1.004010 0.000353
N -1.437613 1.344242 -0.000529
N 1.438225 1.343605 0.000497
C -3.078315 -2.539189 -0.000485
C 3.077201 -2.540560 0.000120
C -2.800831 -1.041188 -0.001040
C 2.800385 -1.042436 0.000801
C -4.586915 -2.813915 -0.005345
C 4.585678 -2.815961 0.004949
C -0.742557 0.217063 -0.000322
C 0.742669 0.216733 0.000195
C -0.713069 2.548876 -0.000220
C 0.714215 2.548560 0.000288
C -4.880209 -4.311752 -0.003537
C 4.878303 -4.313928 0.003008
C -1.416506 3.783801 -0.000421
C 1.418199 3.783173 0.000590
C -0.708286 4.967472 -0.000119
C 0.710503 4.967158 0.000387
H -2.592257 -3.011890 -0.878454
H -2.598202 -3.010285 0.881563
H 2.590937 -3.013118 0.878052
H 2.596873 -3.011368 -0.881964
H -3.156150 -0.520634 -0.905570
H -3.156858 -0.519846 0.902748
H 3.155940 -0.522117 0.905375
H 3.156643 -0.521177 -0.902944
H -5.054715 -2.342946 -0.892984
H -5.061063 -2.339560 0.877105
H 5.053692 -2.345278 0.892627
H 5.060033 -2.341740 -0.877462
H -4.456559 -4.808747 -0.884197
H -4.462994 -4.805372 0.882077
H -5.959508 -4.503434 -0.007100
H 4.454438 -4.810811 0.883628
H 4.460861 -4.807284 -0.882646
H 5.957517 -4.506092 0.006545
H -2.506867 3.765842 -0.000810
H 2.508552 3.764731 0.000978
H -1.233895 5.921926 -0.000267
H 1.236535 5.921379 0.000613


%chk=000236277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236277

0 1
O -1.355280 -1.123688 -0.001239
O 1.354865 -1.124252 0.001053
N -1.429830 1.237715 -0.001291
N 1.430408 1.237119 0.001270
C -3.300423 -2.570178 -0.002276
C 3.299332 -2.571606 0.001922
C -2.848927 -1.110285 -0.002394
C 2.848518 -1.111504 0.002202
C -4.843230 -2.688061 -0.004391
C 4.842085 -2.690255 0.004021
C -0.732511 0.104066 -0.000685
C 0.732615 0.103762 0.000589
C -0.722013 2.441830 -0.000631
C 0.723093 2.441530 0.000688
C -5.320213 -4.156453 -0.003647
C 5.318328 -4.158885 0.003087
C -1.424270 3.680065 -0.001246
C 1.425868 3.679470 0.001381
C -0.712784 4.888339 -0.000556
C 0.714887 4.888042 0.000767
H -2.882503 -3.081536 -0.890462
H -2.885033 -3.080675 0.887591
H 2.881163 -3.082862 0.890050
H 2.883691 -3.081800 -0.888001
H -3.195273 -0.559954 -0.897389
H -3.196648 -0.559342 0.891680
H 3.195114 -0.561428 0.897257
H 3.196482 -0.560622 -0.891814
H -5.252750 -2.166434 -0.893291
H -5.255346 -2.164719 0.882305
H 5.251869 -2.168948 0.892987
H 5.254464 -2.167006 -0.882609
H -4.947247 -4.694260 -0.895382
H -4.949908 -4.692475 0.890268
H -6.423503 -4.221762 -0.005232
H 4.945090 -4.696618 0.894752
H 4.947752 -4.694601 -0.890898
H 6.421584 -4.224749 0.004664
H -2.518521 3.654892 -0.002251
H 2.520108 3.653838 0.002384
H -1.254163 5.840656 -0.001031
H 1.256663 5.840134 0.001301


