%chk=000227719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227719

0 1
O 0.649366 2.253754 -0.965332
O -2.402882 1.895519 1.014871
O -4.217161 -2.569720 -0.599060
N -3.430792 -0.611959 0.269262
N 0.509467 -2.203946 -0.189467
C 4.060181 1.059014 -0.050140
C 5.433791 1.706023 -0.270513
C 2.933284 1.959250 -0.566860
C 6.566644 0.807841 0.245981
C 1.569082 1.304934 -0.352279
C -0.738123 1.960234 -0.773036
C -4.701629 1.416134 0.898299
C 7.936621 1.446600 0.029026
C -3.626607 2.376587 0.389557
C -1.197095 2.542035 0.571886
C -4.734446 0.087286 0.133539
C -3.279591 -1.923641 -0.153809
C -1.893950 -2.476688 -0.019113
C -1.729596 -3.817501 0.357340
C -0.748500 -1.709047 -0.297955
C -0.438274 -4.338338 0.468809
C 0.655421 -3.501229 0.192534
H 3.912009 0.846413 1.026425
H 4.020595 0.075554 -0.559612
H 5.474510 2.689811 0.235362
H 5.583653 1.916639 -1.347136
H 3.068491 2.177432 -1.645928
H 2.955930 2.947026 -0.066111
H 6.528378 -0.175602 -0.262380
H 6.419013 0.597206 1.323261
H 1.473815 0.336518 -0.875931
H 1.320031 1.179065 0.713105
H -0.936948 0.869019 -0.834388
H -1.210298 2.463350 -1.637007
H -5.696288 1.900460 0.835698
H -4.525985 1.225315 1.981240
H 8.738787 0.798980 0.399989
H 8.021918 2.406507 0.550884
H 8.130989 1.633616 -1.033287
H -3.798371 3.412223 0.730353
H -3.515825 2.354173 -0.706583
H -1.326262 3.635087 0.533505
H -0.487063 2.295893 1.385854
H -4.951435 0.250290 -0.947442
H -5.550423 -0.570013 0.518090
H -2.673143 -0.072013 0.706049
H -2.608562 -4.439328 0.550994
H -0.825566 -0.655319 -0.627360
H -0.280749 -5.374897 0.759573
H 1.687186 -3.865044 0.270545


%chk=000227719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227719

0 1
O 0.955858 2.505875 -0.800973
O -2.273800 1.410192 0.853678
O -5.035480 -2.671550 -0.426335
N -3.821973 -0.789735 0.193752
N -0.389961 -3.274125 0.969024
C 4.607978 1.558098 -0.177637
C 5.935325 2.318410 -0.397590
C 3.367769 2.388611 -0.581130
C 7.182325 1.491937 -0.008609
C 2.057319 1.632082 -0.348503
C -0.368704 1.886179 -0.706895
C -4.711397 1.467742 0.700254
C 8.504588 2.258401 -0.227989
C -3.413544 2.205319 0.335908
C -0.959604 2.062235 0.710173
C -4.927832 0.146544 -0.066076
C -3.950029 -2.141890 -0.012975
C -2.729970 -2.991018 0.270868
C -2.836803 -4.387494 0.051681
C -1.483343 -2.490692 0.732193
C -1.720488 -5.213158 0.293993
C -0.520729 -4.616542 0.747746
H 4.529501 1.263693 0.889949
H 4.627983 0.613415 -0.760191
H 5.922012 3.259422 0.191074
H 6.013912 2.619674 -1.463035
H 3.429085 2.666854 -1.650960
H 3.341209 3.334181 -0.005506
H 7.195351 0.552949 -0.598959
H 7.101169 1.188644 1.055295
H 2.038197 0.683804 -0.930147
H 1.940909 1.378310 0.727707
H -0.327808 0.806383 -0.966269
H -0.991172 2.406252 -1.456301
H -5.561608 2.141688 0.480512
H -4.714152 1.277260 1.789847
H 9.380086 1.646327 0.056808
H 8.530085 3.185814 0.374948
H 8.624354 2.546337 -1.289579
H -3.388102 3.209661 0.807875
H -3.326552 2.328680 -0.764609
H -1.039274 3.140673 0.955948
H -0.314816 1.576147 1.462313
H -5.009641 0.346762 -1.155698
H -5.874769 -0.335977 0.235298
H -2.945585 -0.351012 0.506584
H -3.795417 -4.780012 -0.303087
H -1.329509 -1.423495 0.935731
H -1.770999 -6.294983 0.135795
H 0.371643 -5.221371 0.945399


