%chk=000180353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180353

0 1
O -1.468238 -0.380509 0.430853
O -2.002234 1.681045 -0.428166
O 2.357873 -2.329653 -1.276403
O 0.807493 -3.930446 0.120692
N 0.027417 1.325579 0.635055
C 0.598048 2.666505 0.283152
C 1.152105 0.385743 0.920563
C 1.813495 2.759258 1.236469
C 2.220599 1.307686 1.569965
C 0.970636 2.746261 -1.209228
C 1.658950 -0.256114 -0.354713
C 2.184596 1.906149 -1.620889
C 2.065175 0.426230 -1.444100
C -1.216374 0.933506 0.127809
C 1.694245 -1.739491 -0.442044
C -2.835296 -0.950514 0.167087
C 0.864157 -2.564365 0.527302
C -3.037917 -0.970497 -1.339944
C -2.665356 -2.342577 0.765544
C -3.865185 -0.111448 0.905454
H -0.170980 3.446362 0.512553
H 0.785035 -0.374635 1.652616
H 1.533833 3.302968 2.156381
H 2.644787 3.321175 0.781895
H 3.230639 1.074585 1.195135
H 2.247517 1.151907 2.661802
H 1.160032 3.805409 -1.475230
H 0.084429 2.447681 -1.812344
H 3.083492 2.245538 -1.053641
H 2.413948 2.132910 -2.685887
H 2.400708 -0.148179 -2.324751
H 1.277088 -2.538687 1.553927
H -0.208097 -2.234322 0.546122
H -2.231682 -1.509513 -1.851210
H -3.984601 -1.447485 -1.614045
H -3.056030 0.052382 -1.750990
H -2.648804 -2.321081 1.861237
H -1.714344 -2.804692 0.439865
H -3.474283 -3.012353 0.454399
H -3.959397 0.893127 0.458779
H -4.855876 -0.576595 0.878070
H -3.591493 0.035602 1.956771
H 1.555193 -4.131851 -0.506214


%chk=000180353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180353

0 1
O -1.528052 -0.337941 0.411707
O -2.110019 1.853046 -0.304199
O 2.127118 -2.457458 -1.474966
O 1.282583 -4.050691 0.448213
N 0.031138 1.335071 0.458592
C 0.599651 2.673451 0.172851
C 1.101927 0.386174 0.837785
C 1.721146 2.781595 1.242407
C 2.145405 1.310048 1.564526
C 1.101516 2.762334 -1.292359
C 1.677861 -0.317961 -0.400891
C 2.320103 1.866328 -1.652440
C 2.180434 0.366974 -1.479143
C -1.273140 1.018579 0.144644
C 1.700293 -1.808856 -0.464396
C -2.925620 -0.905409 0.165474
C 1.197548 -2.635157 0.727627
C -3.262672 -0.792960 -1.334703
C -2.762563 -2.374323 0.594293
C -3.942375 -0.169966 1.061854
H -0.192540 3.427604 0.314953
H 0.682532 -0.353302 1.535107
H 1.321341 3.269499 2.147436
H 2.569173 3.390090 0.881099
H 3.167933 1.086517 1.217216
H 2.118001 1.127401 2.651826
H 1.383736 3.813948 -1.498279
H 0.252506 2.521495 -1.958813
H 3.196386 2.199032 -1.052098
H 2.593185 2.071904 -2.703845
H 2.561290 -0.260917 -2.298443
H 1.811084 -2.386589 1.621604
H 0.147732 -2.356623 0.946110
H -2.480335 -1.281449 -1.942618
H -4.222254 -1.304369 -1.534271
H -3.351748 0.261034 -1.640354
H -2.455339 -2.443090 1.652629
H -2.009646 -2.889650 -0.027047
H -3.725522 -2.903126 0.478187
H -4.029017 0.888478 0.771744
H -4.933133 -0.649958 0.960878
H -3.637570 -0.231021 2.121949
H 1.695225 -4.127186 -0.462147


