%chk=000216201.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216201

0 1
O -1.256710 -0.144256 1.301408
O 2.988642 -2.356376 1.156063
O 5.100672 -1.486084 -0.326913
O -4.999354 0.111165 -0.935354
O -5.575579 -1.278780 0.722885
N -1.539530 2.493376 -0.819308
N -2.370093 -0.323432 -0.687319
C -0.597211 1.397117 -0.479079
C 0.555281 1.811357 0.462524
C 1.775536 0.961789 0.235230
C -1.433912 0.271344 0.169477
C 1.833061 -0.323023 0.803855
C 2.839316 1.444359 -0.536523
C 2.963319 -1.109801 0.591913
C 3.981374 0.659664 -0.753418
C 4.039601 -0.611016 -0.190655
C -3.282156 -1.345932 -0.152214
C -4.716209 -0.876531 -0.020302
H -0.161085 1.003616 -1.440409
H 0.796951 2.883256 0.327552
H 0.228515 1.716163 1.525770
H 1.003260 -0.709063 1.407671
H 2.792101 2.438474 -0.975041
H -1.079829 3.203162 -1.383324
H -1.892374 2.951932 0.017766
H -2.707418 0.184337 -1.511585
H 4.803534 1.043386 -1.351132
H -2.921847 -1.695573 0.858375
H -3.261412 -2.244442 -0.820114
H 3.847171 -2.823427 0.946659
H 5.830040 -1.088024 -0.859112
H -5.935058 0.443162 -0.865945


%chk=000216201-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216201

0 1
O -1.190715 -0.878629 0.845379
O 3.433271 -2.432846 0.902034
O 5.594547 -1.044816 0.088118
O -4.914320 0.931386 0.411883
O -6.108239 -1.051197 0.616024
N -1.441902 1.881175 -1.533054
N -2.774593 -0.255581 -0.752585
C -0.609791 0.885946 -0.808301
C 0.411011 1.479480 0.230221
C 1.795312 0.841367 0.191365
C -1.542593 -0.163755 -0.144353
C 1.975888 -0.514761 0.574710
C 2.916917 1.594070 -0.239753
C 3.253734 -1.097910 0.522679
C 4.207340 1.011484 -0.291789
C 4.369127 -0.331134 0.088187
C -3.809882 -1.142660 -0.256829
C -5.056985 -0.457489 0.296012
H -0.031764 0.339079 -1.578895
H 0.509593 2.559518 0.012549
H -0.021497 1.377791 1.243170
H 1.120995 -1.106429 0.918780
H 2.789966 2.643305 -0.530232
H -0.952676 2.336080 -2.310127
H -1.882161 2.571733 -0.912081
H -2.937111 0.457890 -1.479232
H 5.070175 1.603676 -0.622794
H -3.362959 -1.743090 0.560883
H -4.153887 -1.856397 -1.029111
H 4.395387 -2.663240 0.809294
H 6.348904 -0.478465 -0.200669
H -5.752493 1.306317 0.797918


