%chk=000235217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235217

0 1
O -2.644020 -1.598473 -1.348349
O -0.512527 2.821709 0.458573
O -0.418026 -1.834532 1.137030
O 2.273702 0.467395 -0.494477
N -3.849025 -0.992362 0.561077
N -1.792822 0.897566 0.816438
N -2.727383 -3.120048 0.417994
N 0.474969 1.028346 1.565949
N -1.441114 -3.601913 0.092469
N 1.721224 1.654429 1.396475
N 3.449427 -4.317484 -1.040063
N 5.835722 4.083915 -0.231922
C -4.083839 0.360337 0.107190
C -5.322932 0.740533 -0.447913
C -3.038409 1.317924 0.260640
C -5.525260 2.076884 -0.817888
C -3.266875 2.647707 -0.130431
C -4.502003 3.014422 -0.661687
C -6.410150 -0.265485 -0.638789
C -3.066230 -1.851698 -0.242244
C -0.623545 1.675316 0.856809
C 0.995019 -3.357949 -0.091706
C -0.298974 -2.816879 0.420644
C 3.664535 2.347843 0.093389
C 2.500328 1.412836 0.234692
C 1.367799 -4.686709 0.150601
C 1.847821 -2.510575 -0.803195
C 4.963666 1.891038 0.332507
C 3.446554 3.669717 -0.309051
C 2.608144 -5.124432 -0.341015
C 3.070522 -3.035005 -1.263573
C 6.024702 2.797472 0.158140
C 4.565912 4.505872 -0.463379
H -6.479930 2.384037 -1.239954
H -2.471354 3.395651 -0.027531
H -4.667624 4.050613 -0.962202
H -4.558824 -1.372474 1.186780
H -6.820942 -0.608824 0.320188
H -7.254246 0.137933 -1.217165
H -6.051030 -1.147536 -1.191270
H -1.750267 -0.063642 1.193014
H -2.845311 -3.125600 1.449496
H 0.552423 -0.012019 1.474200
H -1.449567 -4.144572 -0.785539
H 1.750513 2.580520 1.850510
H 0.723565 -5.361050 0.712168
H 1.590038 -1.459781 -0.991041
H 5.151843 0.862794 0.638436
H 2.441230 4.042113 -0.510793
H 2.953218 -6.152879 -0.177441
H 3.774222 -2.408174 -1.828090
H 7.064785 2.493804 0.332124
H 4.454647 5.550268 -0.781723


%chk=000235217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235217

0 1
O -2.776609 -1.871240 -1.173158
O -0.792378 3.127202 -0.282907
O -0.249708 -1.452871 0.666912
O 2.942538 0.256095 0.729015
N -3.820998 -0.895215 0.699211
N -1.890098 1.041721 0.122675
N -2.559936 -2.870763 0.958371
N 0.418234 1.238530 0.293007
N -1.353708 -3.475744 0.575506
N 1.558205 2.037977 0.244163
N 3.367884 -4.592030 -1.177855
N 6.290138 4.111373 0.299846
C -4.229263 0.340711 0.071323
C -5.598494 0.565094 -0.221603
C -3.236577 1.341355 -0.186164
C -5.977308 1.815280 -0.766481
C -3.642630 2.586404 -0.735400
C -5.004540 2.808546 -1.015821
C -6.629251 -0.516634 0.045755
C -3.055433 -1.862951 0.050352
C -0.786900 1.885345 0.014892
C 0.990094 -3.374918 -0.180151
C -0.224676 -2.691009 0.365622
C 3.961007 2.452655 0.401581
C 2.799238 1.503362 0.473109
C 0.938101 -4.609796 -0.879944
C 2.249411 -2.747035 -0.009249
C 5.257315 1.908763 0.579386
C 3.855792 3.850194 0.174290
C 2.143124 -5.172667 -1.353668
C 3.397625 -3.393945 -0.519151
C 6.377714 2.764296 0.520626
C 5.034873 4.626369 0.132289
H -7.030980 2.002515 -1.000286
H -2.889933 3.355202 -0.918544
H -5.308528 3.772066 -1.439559
H -4.118910 -1.056336 1.664956
H -6.800094 -0.669436 1.129878
H -7.599656 -0.248590 -0.404211
H -6.309836 -1.487218 -0.374502
H -1.675070 0.078669 0.409866
H -2.587852 -2.645137 1.960479
H 0.541844 0.225973 0.470650
H -1.398703 -4.452380 0.285653
H 1.330809 3.009975 -0.000064
H -0.005205 -5.119105 -1.106827
H 2.339046 -1.773349 0.484831
H 5.362510 0.835366 0.760761
H 2.894399 4.356653 0.034464
H 2.138323 -6.120020 -1.903777
H 4.385519 -2.936799 -0.403474
H 7.390919 2.369487 0.653842
H 4.982911 5.706911 -0.041415


