%chk=000225257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225257

0 1
O -0.511709 2.473483 -0.000300
O -1.687467 -2.100849 -0.000183
O 2.700515 -0.869318 -0.004229
N -1.236549 0.220981 -0.000049
N 1.120526 0.881146 -0.002193
N 0.511483 -1.508128 -0.002151
C -1.902138 4.342968 0.001149
C -3.808685 -3.062829 0.001608
C 5.011836 -0.581058 -0.006668
C -1.951720 2.844672 0.001084
C -3.127054 -1.727609 0.001171
C 3.735228 0.203535 -0.004837
C -1.873592 5.044604 1.215762
C -4.124508 -3.690390 -1.212818
C 5.608764 -0.954086 1.207059
C -1.882750 5.045058 -1.213382
C -4.128962 -3.687378 1.216418
C 5.611258 -0.944452 -1.222088
C -0.226045 1.161245 -0.000769
C -0.801389 -1.092913 -0.000757
C 1.421151 -0.470219 -0.002849
C -1.843098 6.441738 1.212823
C -4.773601 -4.927961 -1.209366
C 6.807641 -1.672115 1.202374
C -1.852287 6.442190 -1.210141
C -4.778095 -4.924928 1.213644
C 6.810166 -1.662436 -1.220623
C -1.834875 7.141039 0.001425
C -5.102881 -5.544409 0.002303
C 7.409913 -2.024498 -0.009921
H -2.414577 2.410040 0.904741
H -2.416361 2.410050 -0.901661
H -3.323381 -1.123219 -0.901977
H -3.321756 -1.123309 0.904728
H 3.584964 0.822134 0.898240
H 3.582873 0.823254 -0.906793
H -1.866671 4.502211 2.160545
H -3.855861 -3.219553 -2.157785
H 5.134706 -0.692148 2.152376
H -1.882999 4.503067 -2.158414
H -3.863858 -3.214217 2.161215
H 5.139233 -0.674984 -2.166296
H -1.821014 6.985858 2.155908
H -5.017618 -5.415114 -2.152251
H 7.270084 -1.961669 2.144695
H -1.837379 6.986672 -2.153157
H -5.025642 -5.409717 2.156826
H 7.274607 -1.944432 -2.164251
H -1.810562 8.229836 0.001534
H -5.607413 -6.509526 0.002577
H 8.343548 -2.584918 -0.011190


%chk=000225257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225257

0 1
O -0.390030 2.373645 -0.003476
O -1.641486 -2.176093 -0.000194
O 2.810558 -1.007078 -0.006339
N -1.114302 0.126090 -0.001888
N 1.232885 0.741207 -0.005074
N 0.589630 -1.613443 -0.003123
C -1.925117 4.253514 0.000597
C -3.922660 -3.000773 0.001796
C 5.202464 -0.596848 -0.008138
C -1.851908 2.748131 -0.001805
C -3.087354 -1.746115 0.000340
C 3.857611 0.082979 -0.008024
C -1.957433 4.969342 1.223569
C -4.317849 -3.602244 -1.219256
C 5.843360 -0.922440 1.213528
C -1.965387 4.973011 -1.219959
C -4.324728 -3.594860 1.224189
C 5.846852 -0.915398 -1.229787
C -0.096100 1.034847 -0.003432
C -0.697913 -1.182198 -0.001605
C 1.504404 -0.599880 -0.004978
C -2.024930 6.380048 1.228092
C -5.097894 -4.779543 -1.220098
C 7.104307 -1.558569 1.215789
C -2.032954 6.383749 -1.219819
C -5.104897 -4.772109 1.227765
C 7.107892 -1.551431 -1.232095
C -2.063262 7.090074 0.005308
C -5.493681 -5.366401 0.004520
C 7.739490 -1.873641 -0.008173
H -2.314160 2.297842 0.894042
H -2.315545 2.300667 -0.898350
H -3.255545 -1.124727 -0.896628
H -3.254773 -1.123280 0.896425
H 3.692883 0.708253 0.886342
H 3.691976 0.706579 -0.903378
H -1.923334 4.419754 2.172087
H -4.005988 -3.151577 -2.169236
H 5.349334 -0.682179 2.162722
H -1.937468 4.426277 -2.170330
H -4.018267 -3.138449 2.173188
H 5.355574 -0.669664 -2.179011
H -2.048715 6.923814 2.178834
H -5.396131 -5.237740 -2.169447
H 7.590294 -1.807083 2.165700
H -2.062976 6.930354 -2.168754
H -5.408574 -5.224500 2.178176
H 7.596642 -1.794378 -2.182030
H -2.117514 8.184517 0.007141
H -6.100067 -6.279154 0.005564
H 8.718785 -2.365502 -0.008184


