%chk=000211603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211603

0 1
O 0.381859 2.624677 0.611636
N -0.009657 0.356536 0.446960
N -3.603795 -0.101019 -0.181559
N 2.078760 1.379351 -0.333197
C -2.260147 -0.579928 0.280742
C -1.399004 -1.128379 -0.883951
C -1.437646 0.618274 0.829592
C 0.053433 -0.789450 -0.515733
C -4.446816 0.370818 0.970638
C -4.332727 -1.096965 -1.021583
C 0.781808 1.521732 0.261237
C -5.495073 1.363224 0.464213
C -4.617209 -2.454990 -0.373185
C 2.888831 0.194882 -0.156681
C 2.863799 2.644348 -0.439577
C 2.884605 -0.532642 1.046648
C 3.690641 -0.220794 -1.236145
C 3.676317 -1.677063 1.159210
C 4.480393 -1.363814 -1.102737
C 4.475562 -2.094551 0.090241
H -2.347591 -1.364896 1.073173
H -1.681245 -0.638354 -1.836545
H -1.543525 -2.210071 -1.025943
H -1.800678 1.589735 0.417879
H -1.482923 0.689207 1.934392
H 0.552313 -1.635030 0.007601
H 0.656752 -0.553056 -1.415657
H -4.941574 -0.468228 1.507268
H -3.801505 0.882060 1.717359
H -5.292316 -0.622997 -1.332651
H -3.751716 -1.238098 -1.959567
H -5.027310 2.146155 -0.149435
H -6.253192 0.878055 -0.160155
H -6.007884 1.852725 1.298243
H -3.696951 -2.997061 -0.132839
H -5.187894 -2.348446 0.556673
H -5.205228 -3.091945 -1.043099
H 3.492867 2.605423 -1.341965
H 3.500946 2.817456 0.442020
H 2.174591 3.506899 -0.530683
H 2.263156 -0.210323 1.882667
H 3.688510 0.342228 -2.167757
H 3.673971 -2.243333 2.090270
H 5.103009 -1.688620 -1.935847
H 5.093881 -2.984233 0.186629


%chk=000211603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211603

0 1
O 0.573374 2.796303 0.659706
N -0.040621 0.658503 0.000836
N -3.651687 -0.055060 -0.212825
N 2.239789 1.381763 -0.234099
C -2.211735 -0.347993 -0.004402
C -1.457633 -0.733375 -1.305527
C -1.427247 0.902737 0.475005
C 0.024247 -0.480914 -0.952852
C -4.306263 0.418773 1.040490
C -4.389688 -1.143788 -0.911024
C 0.899314 1.660182 0.182578
C -5.761204 0.880016 0.838996
C -4.531527 -2.493061 -0.151763
C 2.900458 0.130223 -0.045164
C 3.058464 2.557908 -0.608453
C 2.495327 -0.781416 0.972111
C 4.037553 -0.197055 -0.836271
C 3.197640 -1.987179 1.171966
C 4.737032 -1.404288 -0.623018
C 4.322024 -2.312758 0.376986
H -2.058194 -1.166205 0.747266
H -1.789676 -0.058311 -2.116334
H -1.625863 -1.777437 -1.619282
H -1.844121 1.815783 0.007247
H -1.433352 1.045680 1.569068
H 0.478863 -1.371758 -0.477623
H 0.642593 -0.220954 -1.829789
H -4.270692 -0.356668 1.848572
H -3.721698 1.280532 1.409394
H -5.395279 -0.760344 -1.159280
H -3.887813 -1.321514 -1.878826
H -5.821571 1.606886 0.009394
H -6.445811 0.041532 0.618938
H -6.126721 1.371991 1.758749
H -3.547322 -2.941825 0.076859
H -5.079361 -2.370855 0.800399
H -5.093803 -3.215466 -0.772169
H 3.234757 2.601515 -1.700342
H 4.032196 2.529957 -0.088725
H 2.510798 3.459105 -0.293039
H 1.646519 -0.528886 1.615777
H 4.371953 0.489231 -1.620926
H 2.872277 -2.669030 1.966266
H 5.608813 -1.634726 -1.246261
H 4.867290 -3.248252 0.540190


