%chk=000259539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259539

0 1
O -1.837832 -1.464691 1.239007
N -4.634352 0.216871 -0.386377
N 2.678039 -0.877160 -0.578634
C -3.901270 -0.513303 0.692741
C 2.741346 0.493174 -0.952679
C 1.754092 -1.445669 0.366367
C 3.630175 -1.589232 -1.348333
C -5.276680 -0.740875 -1.348161
C -5.622884 1.199355 0.166843
C -2.425551 -0.537287 0.266651
C 3.728600 0.618073 -1.926390
C 4.279746 -0.674438 -2.172660
C 1.919186 1.545583 -0.355951
C 0.389945 -1.121943 0.264760
C -0.488052 -1.682537 1.198738
C 2.226405 -2.306392 1.367182
C 3.823837 -3.051335 -1.256333
C -5.562453 -0.033246 -2.673290
C -4.888962 2.391063 0.782703
C -0.038783 -2.561155 2.211018
C 1.315830 -2.859714 2.279014
C 1.234666 2.441306 -1.195426
C 1.828061 1.691718 1.038661
C 0.465429 3.467703 -0.642432
C 1.055336 2.719549 1.583615
C 0.372926 3.608101 0.746007
H -3.993780 0.000374 1.674278
H -4.260458 -1.550860 0.866367
H -4.568662 -1.580415 -1.531287
H -6.208640 -1.193790 -0.946148
H -6.256043 1.558394 -0.676787
H -6.312459 0.744960 0.910417
H -1.939975 0.447495 0.364264
H -2.275460 -0.945680 -0.745842
H 4.035141 1.527395 -2.403571
H 5.059282 -0.893434 -2.872801
H 0.046341 -0.449245 -0.517333
H 3.286273 -2.532449 1.449240
H 4.576529 -3.309973 -0.495892
H 2.898345 -3.589860 -1.002294
H 4.179682 -3.460152 -2.214745
H -5.870960 -0.748805 -3.442243
H -4.667949 0.490386 -3.038524
H -6.353243 0.719250 -2.576527
H -5.588759 3.191687 1.042652
H -4.152106 2.802245 0.078770
H -4.341407 2.115627 1.691021
H -0.756449 -2.978457 2.912160
H 1.682721 -3.531146 3.057092
H 1.306894 2.331136 -2.276606
H 2.362479 1.003054 1.692263
H -0.063157 4.159953 -1.295537
H 0.986994 2.829822 2.664612
H -0.226374 4.408669 1.173961


%chk=000259539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259539

0 1
O -1.873521 -1.473061 1.427254
N -4.729929 0.071209 -0.415907
N 2.589558 -0.838404 -0.612154
C -3.998601 -0.593928 0.690508
C 2.666083 0.524661 -1.009560
C 1.742475 -1.375497 0.424994
C 3.316017 -1.633807 -1.527022
C -5.160029 -0.887071 -1.471198
C -5.819067 0.970367 0.048554
C -2.501465 -0.663512 0.361878
C 3.456380 0.564806 -2.171291
C 3.859243 -0.772846 -2.489915
C 2.089371 1.661129 -0.270134
C 0.348051 -1.138715 0.362801
C -0.487497 -1.656556 1.380996
C 2.303611 -2.133808 1.476207
C 3.381150 -3.133137 -1.443721
C -5.337947 -0.228583 -2.852523
C -5.289673 2.286183 0.649381
C 0.063768 -2.424714 2.439102
C 1.450730 -2.660446 2.475546
C 1.662269 2.810867 -0.997418
C 1.978665 1.690685 1.150636
C 1.149604 3.944331 -0.333610
C 1.454025 2.821533 1.811478
C 1.036396 3.956021 1.076918
H -4.127133 -0.017758 1.623264
H -4.375619 -1.623047 0.894416
H -4.380375 -1.668018 -1.553371
H -6.102560 -1.416711 -1.179023
H -6.448959 1.213257 -0.826194
H -6.486333 0.456558 0.786254
H -2.061827 0.352159 0.341553
H -2.332542 -1.146541 -0.622126
H 3.757947 1.475701 -2.686466
H 4.480512 -1.087136 -3.327521
H -0.050529 -0.550539 -0.467420
H 3.385655 -2.288090 1.520090
H 3.998529 -3.490697 -0.597862
H 2.379764 -3.588386 -1.327413
H 3.828587 -3.525764 -2.371973
H -5.621161 -0.986665 -3.606488
H -4.396170 0.252323 -3.169230
H -6.127999 0.543869 -2.844483
H -6.129590 2.937618 0.955419
H -4.676235 2.822237 -0.095370
H -4.662370 2.109715 1.542274
H -0.606701 -2.815843 3.210089
H 1.876056 -3.248286 3.296041
H 1.719800 2.798889 -2.091652
H 2.321380 0.835671 1.741443
H 0.827268 4.814362 -0.917310
H 1.381201 2.819993 2.905142
H 0.631336 4.833121 1.593718


