%chk=000267473.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267473

0 1
O 1.632487 -1.789979 0.821221
O 0.891285 0.255460 -1.987531
O -4.733118 -0.135981 1.744241
N -0.291668 -0.399657 -0.097082
N -1.482619 0.101181 -0.569223
C 2.121396 -0.912845 -0.222805
C 2.885146 0.203515 0.468280
C 3.024994 -1.702044 -1.152747
C 0.855488 -0.286359 -0.906448
C 3.169706 0.130250 1.837162
C 2.970147 -1.599092 -2.546111
C 3.316969 1.305731 -0.284922
C 3.972846 -2.554404 -0.556816
C 3.886291 1.160811 2.452897
C 3.838334 -2.359027 -3.338687
C 4.032823 2.330918 0.336439
C 4.835292 -3.310608 -1.349985
C 4.318640 2.259835 1.704690
C 4.767133 -3.216492 -2.745552
C -3.812650 0.573558 -0.287675
C -2.531775 0.052227 0.208581
C -4.970009 0.471061 0.533798
C -3.951499 1.176372 -1.544351
C -6.213913 0.952948 0.112048
C -5.192342 1.661248 -1.974705
C -6.312443 1.548845 -1.150543
C -5.849954 -0.279325 2.682138
C -5.209680 -0.960380 3.875192
H 2.828526 -0.730297 2.415868
H 2.256471 -0.921074 -3.030361
H 3.086211 1.362181 -1.352134
H 4.037308 -2.611230 0.531282
H 1.512096 -2.702988 0.472490
H 4.107056 1.105273 3.517301
H 3.786623 -2.274993 -4.423687
H 4.367238 3.187710 -0.246737
H 5.566207 -3.969215 -0.883837
H -0.207644 -0.817739 0.845969
H 4.876748 3.061167 2.185742
H 5.440647 -3.806765 -3.364779
H -2.565857 -0.352982 1.235379
H -3.073415 1.266615 -2.193492
H -7.095221 0.874280 0.738087
H -5.277535 2.126014 -2.954366
H -7.277404 1.927494 -1.488204
H -6.628216 -0.896768 2.201837
H -6.236464 0.726809 2.918690
H -4.394608 -0.352567 4.292574
H -4.769361 -1.927443 3.594590
H -5.941014 -1.139346 4.671886


%chk=000267473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267473

0 1
O 1.592681 -1.606028 0.956625
O 1.112113 0.592935 -1.945729
O -4.734179 -0.350100 1.638468
N -0.240951 -0.226227 -0.197741
N -1.414466 0.359625 -0.645531
C 2.156303 -0.752697 -0.143152
C 3.011196 0.356954 0.499999
C 2.965342 -1.665498 -1.078896
C 0.956269 -0.059196 -0.880012
C 3.137243 0.458493 1.904984
C 2.446325 -2.153237 -2.304726
C 3.671991 1.297127 -0.331875
C 4.238861 -2.118265 -0.640606
C 3.924068 1.486142 2.475362
C 3.186762 -3.079491 -3.073194
C 4.454213 2.321873 0.241087
C 4.974262 -3.046652 -1.407041
C 4.585412 2.420180 1.646917
C 4.449338 -3.532012 -2.627618
C -3.781699 0.706856 -0.297760
C -2.488277 0.137932 0.090019
C -4.940221 0.452382 0.503782
C -3.924877 1.512193 -1.460429
C -6.197729 0.992555 0.141696
C -5.173872 2.050573 -1.823279
C -6.309035 1.788446 -1.019708
C -5.891600 -0.642961 2.507747
C -5.378840 -1.521842 3.645347
H 2.620380 -0.269465 2.536063
H 1.482216 -1.791811 -2.674801
H 3.556091 1.229037 -1.418697
H 4.655193 -1.728497 0.295324
H 1.806879 -2.549679 0.748007
H 4.017288 1.556276 3.565231
H 2.779420 -3.441661 -4.023570
H 4.959218 3.045154 -0.408930
H 5.956399 -3.384378 -1.058071
H -0.191231 -0.815932 0.652001
H 5.193739 3.217209 2.089427
H 5.021620 -4.247779 -3.228248
H -2.469271 -0.471062 1.011410
H -3.028576 1.697433 -2.060955
H -7.086190 0.802069 0.749904
H -5.265828 2.669187 -2.721736
H -7.285449 2.203241 -1.293877
H -6.672348 -1.163446 1.916262
H -6.312194 0.308806 2.891850
H -4.596200 -0.998413 4.220492
H -4.954287 -2.461249 3.252122
H -6.207808 -1.773198 4.331661


