%chk=000208806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208806

0 1
O -6.755003 -0.753295 -0.276845
O -0.968148 2.008658 1.250330
N -3.915648 -0.860510 -0.002300
N -0.303930 -0.126212 0.777626
N 0.616250 -1.047438 0.434945
C -2.499402 -0.512036 -0.340408
C -4.602561 -1.533238 -1.153183
C -4.685104 0.360960 0.407741
C -1.692870 -0.649698 0.969160
C -6.023852 -1.918246 -0.709147
C -6.102138 -0.070325 0.814249
C 1.361387 1.670864 0.697439
C 1.683607 3.128576 0.829938
C -0.042558 1.281826 0.935447
C 1.890105 3.781696 -0.545886
C 2.280938 0.727622 0.367296
C 1.873924 -0.658180 0.241783
C 2.226137 5.272780 -0.408656
C 2.868792 -1.695181 -0.117116
C 2.438013 5.927689 -1.771410
C 4.076601 -1.773845 0.595249
C 2.611169 -2.592451 -1.164772
C 5.023133 -2.741228 0.250451
C 3.564663 -3.556800 -1.503162
C 4.770500 -3.631190 -0.799344
H -2.382689 0.510414 -0.761748
H -2.091783 -1.213334 -1.099585
H -4.652622 -0.895810 -2.061806
H -4.031778 -2.448806 -1.417326
H -4.165937 0.832785 1.270418
H -4.740243 1.127727 -0.395289
H -2.167469 -0.061959 1.791216
H -1.659588 -1.713906 1.295234
H -6.008459 -2.657474 0.111296
H -6.637977 -2.286485 -1.549024
H -6.768697 0.792507 0.986524
H -6.092604 -0.732870 1.697481
H 0.861632 3.652143 1.371470
H 2.587087 3.262517 1.459316
H 0.974579 3.657470 -1.157625
H 2.695738 3.261214 -1.097803
H 3.325399 0.982318 0.179563
H 1.411317 5.793673 0.132954
H 3.133456 5.401667 0.213265
H 3.262868 5.461517 -2.321996
H 2.675053 6.992562 -1.665579
H 1.541971 5.853822 -2.398739
H 4.270657 -1.091209 1.420813
H 1.666599 -2.540004 -1.705694
H 5.959226 -2.804509 0.803383
H 3.364784 -4.253225 -2.316296
H 5.511277 -4.383244 -1.065348


%chk=000208806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208806

0 1
O -6.641881 -0.428151 -0.517068
O -0.774705 2.075317 1.149061
N -3.768533 -0.708110 -0.201623
N -0.142166 -0.151638 0.755946
N 0.748035 -1.153426 0.460317
C -2.326747 -0.467858 -0.425013
C -4.469954 -1.266467 -1.386429
C -4.485838 0.497898 0.294787
C -1.548862 -0.586120 0.909293
C -5.920997 -1.613098 -1.011197
C -5.935208 0.131217 0.648869
C 1.573306 1.576108 0.706212
C 1.957712 3.031996 0.812000
C 0.154149 1.241042 0.888185
C 1.528541 3.856311 -0.437179
C 2.472301 0.561713 0.418876
C 2.045557 -0.811408 0.295011
C 1.887051 5.352701 -0.298655
C 2.983107 -1.926452 -0.015239
C 1.471362 6.177538 -1.535651
C 4.392148 -1.759592 0.074627
C 2.475652 -3.198250 -0.402905
C 5.265997 -2.828604 -0.219537
C 3.348736 -4.264013 -0.695449
C 4.750566 -4.085676 -0.607844
H -2.131465 0.535324 -0.873333
H -1.941189 -1.229471 -1.128047
H -4.478668 -0.544175 -2.241046
H -3.946893 -2.183992 -1.716324
H -3.974436 0.895467 1.189982
H -4.488518 1.307557 -0.477060
H -2.010462 0.063268 1.669682
H -1.542920 -1.629561 1.256318
H -5.920268 -2.404122 -0.230230
H -6.488990 -1.958550 -1.890950
H -6.512383 1.023819 0.941376
H -5.939469 -0.607857 1.478803
H 1.455938 3.471600 1.695716
H 3.051323 3.124996 0.955506
H 0.436112 3.748799 -0.574424
H 2.017216 3.438173 -1.340469
H 3.525669 0.814899 0.263455
H 1.390158 5.761108 0.604425
H 2.978937 5.457958 -0.131203
H 1.973551 5.805933 -2.448862
H 1.734049 7.244724 -1.416104
H 0.379981 6.114617 -1.703511
H 4.820987 -0.803458 0.392771
H 1.391638 -3.330231 -0.465915
H 6.348628 -2.680329 -0.139865
H 2.938335 -5.234908 -0.994674
H 5.429613 -4.914265 -0.836910


