%chk=000231130.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231130

0 1
O -6.294567 0.442194 -1.250929
N -3.131634 -0.738576 -0.305672
N -5.787737 -0.456262 0.773984
C -1.388418 0.865346 0.443315
C -0.914919 -1.604351 0.408206
C -0.347108 -0.213419 0.316451
C -2.558443 0.631820 -0.526028
C -2.095446 -1.794011 -0.559933
C 0.966313 0.039368 0.166687
C -4.326331 -0.951356 -1.179219
C 1.992941 -1.026981 0.081751
C 1.523179 1.410485 0.074282
C -5.534550 -0.233337 -0.576439
C 2.371507 -1.735387 1.233206
C 1.392819 2.145473 -1.114779
C 2.598878 -1.320236 -1.149857
C 2.195487 1.969756 1.171882
C 3.346573 -2.732495 1.148384
C 1.929027 3.432810 -1.199807
C 3.571415 -2.320295 -1.226926
C 2.727262 3.258530 1.079551
C 3.946138 -3.028187 -0.080150
C 2.594689 3.991961 -0.104039
H -1.763083 0.874166 1.490138
H -0.965857 1.875964 0.268535
H -0.149073 -2.379821 0.201649
H -1.253498 -1.782305 1.451950
H -3.359926 1.377916 -0.329952
H -2.217748 0.793124 -1.572096
H -1.723914 -1.789299 -1.607827
H -2.561616 -2.787283 -0.380743
H -4.196916 -0.598084 -2.227923
H -4.563811 -2.037607 -1.246700
H 1.907954 -1.502344 2.189302
H 0.877155 1.708830 -1.967322
H 2.312915 -0.762308 -2.039566
H 2.305273 1.394957 2.089462
H 3.641555 -3.279280 2.042387
H 1.829239 4.001552 -2.122797
H 4.041033 -2.546565 -2.182828
H 3.248732 3.691527 1.931630
H -6.519310 0.067445 1.230194
H -5.073526 -0.841558 1.375533
H 4.705136 -3.804859 -0.143164
H 3.011009 4.994580 -0.173183


%chk=000231130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231130

0 1
O -6.689219 0.012128 -1.213842
N -3.168153 -0.713893 -0.394648
N -5.549669 -0.244636 0.816252
C -1.435923 0.788653 0.588757
C -0.971256 -1.672159 0.342951
C -0.368555 -0.273658 0.367808
C -2.597283 0.660348 -0.423768
C -2.130869 -1.737463 -0.685880
C 0.971146 -0.001261 0.190977
C -4.376886 -0.834144 -1.242982
C 2.020974 -1.075557 0.184848
C 1.488893 1.397636 0.000436
C -5.652909 -0.297851 -0.556064
C 2.065407 -2.076407 1.195352
C 0.960105 2.253382 -1.005146
C 3.038120 -1.083606 -0.809972
C 2.565986 1.880987 0.793425
C 3.074829 -3.063646 1.198486
C 1.472600 3.555748 -1.195947
C 4.043378 -2.074198 -0.813804
C 3.074943 3.184740 0.610217
C 4.066262 -3.071286 0.190038
C 2.529525 4.029836 -0.385023
H -1.861670 0.638624 1.603867
H -1.021853 1.808545 0.554676
H -0.221322 -2.436212 0.080637
H -1.387448 -1.930108 1.338442
H -3.400624 1.377306 -0.173522
H -2.227651 0.914427 -1.449208
H -1.708626 -1.607901 -1.713524
H -2.605290 -2.735400 -0.641790
H -4.288554 -0.314845 -2.223306
H -4.559882 -1.903425 -1.462021
H 1.317855 -2.058232 1.996762
H 0.159033 1.880953 -1.654548
H 3.033175 -0.307447 -1.583680
H 3.000111 1.227719 1.558923
H 3.093723 -3.819159 1.992260
H 1.054104 4.195137 -1.981612
H 4.811096 -2.066599 -1.595883
H 3.898477 3.540562 1.239700
H -6.340081 0.063636 1.379381
H -4.647170 -0.513233 1.222987
H 4.851067 -3.835982 0.192065
H 2.928883 5.039541 -0.532474


