%chk=000295987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295987

0 1
O 0.548736 -1.171912 0.702019
O -0.339770 0.587482 1.964840
O -3.585469 0.707630 -1.832628
O 1.171122 1.124381 -1.958459
O 3.737208 0.081435 -0.387811
O 2.913790 -0.164207 1.704450
N -0.423862 0.635143 -0.342838
N -2.946515 -0.487940 -0.008065
C -1.910846 -0.979480 0.948295
C -0.551601 -0.238919 0.830784
C -1.557927 1.481966 -0.759534
C -1.816317 -2.498766 0.699681
C 1.515251 -0.689005 -0.271827
C -3.881617 -1.611914 -0.331005
C -3.168583 -2.910692 0.093284
C -2.766121 0.540318 -0.946364
C 0.808781 0.491859 -1.002251
C -1.877445 2.606615 0.267794
C 1.854592 -1.857759 -1.235845
C 2.753741 -0.227688 0.512030
C -0.632669 3.456213 0.530447
C -3.029106 3.463140 -0.260999
C 2.440562 -3.029479 -0.447615
C 0.616726 -2.281271 -2.023840
C 0.210953 -0.051110 3.140880
C 4.997054 0.632705 0.125285
C 4.808162 2.097058 0.453531
H -2.307489 -0.775082 1.983189
H -1.309565 1.942258 -1.758512
H -1.590681 -3.045365 1.628804
H -0.980075 -2.727454 -0.005082
H -4.145408 -1.599143 -1.411559
H -4.823118 -1.453000 0.236253
H -3.025971 -3.585979 -0.767990
H -3.777661 -3.468988 0.825665
H -2.184073 2.124988 1.232572
H 2.630179 -1.462885 -1.948739
H 0.131918 2.871211 1.062487
H -0.871220 4.322787 1.156481
H -0.182885 3.832033 -0.394806
H -3.911003 2.861088 -0.519513
H -3.345350 4.199787 0.485785
H -2.747494 4.017189 -1.164479
H 1.772234 -3.335668 0.369088
H 2.595735 -3.903218 -1.090955
H 3.410922 -2.780753 -0.002082
H -0.213311 -2.555170 -1.347510
H 0.827057 -3.152974 -2.654432
H 0.257763 -1.486823 -2.690167
H 1.192215 -0.490323 2.900104
H -0.484296 -0.797455 3.527433
H 0.321084 0.796548 3.827501
H 5.315744 0.032146 0.994935
H 5.658596 0.459617 -0.743990
H 5.766405 2.593203 0.648295
H 4.318365 2.632626 -0.372934
H 4.177455 2.233799 1.344022


%chk=000295987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295987

0 1
O 0.510726 -1.319926 0.497604
O -0.018429 0.492163 2.005581
O -3.426144 0.578075 -2.081701
O 1.184835 1.157367 -2.033351
O 3.724602 0.214564 -0.430980
O 2.958057 -0.560801 1.630624
N -0.347839 0.671865 -0.301118
N -2.679207 -0.661205 -0.260987
C -1.891237 -0.802484 0.993479
C -0.443727 -0.248201 0.822400
C -1.512008 1.450194 -0.769933
C -2.035882 -2.306180 1.326336
C 1.531970 -0.751201 -0.410558
C -3.593270 -1.809848 -0.492704
C -3.456716 -2.645050 0.803095
C -2.639323 0.436555 -1.096381
C 0.823666 0.499583 -1.029558
C -1.939408 2.589976 0.209155
C 1.888843 -1.791239 -1.518867
C 2.785398 -0.361766 0.409691
C -0.731676 3.501776 0.522926
C -3.112744 3.396090 -0.395684
C 2.577092 -3.032538 -0.905845
C 0.645818 -2.194197 -2.343074
C 0.189754 -0.329568 3.216015
C 4.987183 0.710879 0.207775
C 4.781769 2.121156 0.765428
H -2.354780 -0.185920 1.792027
H -1.209808 1.908999 -1.729773
H -1.917418 -2.509659 2.402990
H -1.264046 -2.874884 0.781089
H -3.264568 -2.368902 -1.389763
H -4.618869 -1.450562 -0.683053
H -3.589739 -3.723346 0.615809
H -4.220467 -2.331078 1.538298
H -2.276721 2.127914 1.160183
H 2.600972 -1.262868 -2.181329
H 0.071372 2.935918 1.024450
H -1.041595 4.328014 1.188641
H -0.323938 3.945291 -0.405251
H -3.977305 2.756527 -0.643833
H -3.444775 4.172944 0.316974
H -2.798136 3.902059 -1.327743
H 1.906086 -3.537526 -0.187920
H 2.832488 -3.752155 -1.704268
H 3.511581 -2.772629 -0.376189
H -0.108420 -2.687703 -1.704151
H 0.942970 -2.906567 -3.133614
H 0.177989 -1.324644 -2.836942
H 0.912224 -1.133815 3.002669
H -0.767264 -0.740239 3.595781
H 0.611877 0.364753 3.957448
H 5.283356 -0.001389 0.998285
H 5.714064 0.691200 -0.619221
H 5.742186 2.512468 1.149429
H 4.417811 2.802865 -0.021802
H 4.055671 2.113700 1.595514


