%chk=000271426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271426

0 1
O -1.109920 -2.166187 1.002625
O -1.331148 1.367359 -2.020410
O -2.605554 0.962361 1.710387
O 6.792498 0.828356 -0.510717
N -1.619667 -0.411152 -0.470104
N 0.473280 0.054716 -1.285453
C 0.679743 -0.954676 -0.208730
C 1.492515 -0.435792 0.986502
C -0.764319 -1.306495 0.239030
C -0.878234 0.487163 -1.335177
C 2.908019 -0.123390 0.594159
C -3.035031 -0.291257 -0.258047
C 3.842167 -1.159014 0.443810
C 3.301803 1.209507 0.374590
C -3.537012 0.409412 0.867566
C -3.938199 -0.863118 -1.163015
C 5.159432 -0.882408 0.072721
C 4.608218 1.512123 0.004194
C -4.915746 0.523630 1.089562
C 5.523043 0.454405 -0.142874
C -5.314311 -0.744482 -0.944038
C -5.796948 -0.058259 0.174603
H 1.168103 -1.858950 -0.658841
H 1.473993 -1.201192 1.796112
H 0.999013 0.453760 1.433871
H 1.229942 0.700687 -1.497493
H 3.542685 -2.192953 0.619080
H 2.581414 2.018733 0.501365
H -3.562025 -1.397009 -2.037752
H 5.880109 -1.685618 -0.042836
H 4.935228 2.535565 -0.169741
H -5.294484 1.057840 1.955763
H -6.011312 -1.190088 -1.651842
H -6.872186 0.026853 0.336948
H -3.033369 1.412478 2.482861
H 7.399060 0.052794 -0.601077


%chk=000271426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271426

0 1
O -1.150474 -2.014517 1.244025
O -1.359940 1.148107 -2.267299
O -2.625263 0.574090 1.950567
O 6.874470 0.784621 -0.688718
N -1.638473 -0.391805 -0.435839
N 0.444103 0.021836 -1.204621
C 0.646112 -0.916744 -0.095625
C 1.500328 -0.346098 1.078803
C -0.801658 -1.208964 0.352179
C -0.882073 0.364404 -1.416424
C 2.929398 -0.058365 0.649718
C -3.053239 -0.261665 -0.263850
C 3.908041 -1.084499 0.644274
C 3.313994 1.234082 0.201351
C -3.562344 0.199661 0.979456
C -3.943266 -0.572089 -1.312855
C 5.227024 -0.837955 0.206596
C 4.625995 1.498753 -0.241058
C -4.959065 0.298186 1.176009
C 5.583160 0.458356 -0.239492
C -5.337447 -0.451526 -1.126813
C -5.841950 -0.028956 0.124188
H 1.108118 -1.860272 -0.446168
H 1.464456 -1.097325 1.889262
H 1.005348 0.569158 1.451303
H 1.198241 0.440370 -1.746018
H 3.641184 -2.088222 0.997512
H 2.580058 2.049120 0.213879
H -3.532482 -0.903561 -2.271209
H 5.971024 -1.645229 0.218532
H 4.926280 2.494466 -0.580138
H -5.352872 0.644187 2.140317
H -6.021231 -0.692392 -1.946352
H -6.922475 0.054886 0.282237
H -3.067442 0.771722 2.812327
H 7.475160 -0.000119 -0.642453


