%chk=000250558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250558

0 1
O 2.129212 0.081517 -1.460928
O -4.403162 -0.804490 0.244721
N -2.521449 -1.124699 -1.001966
N 3.245901 0.702147 0.426052
C 0.298518 -2.210935 -0.184879
C 1.488945 -2.118106 0.779601
C -1.025708 -2.384044 0.564763
C 2.772200 -1.689503 0.055075
C -2.232730 -2.441093 -0.385550
C 2.661905 -0.250208 -0.413110
C 3.146484 2.149436 0.121313
C -3.607301 -0.357630 -0.570084
C 2.232852 2.853098 1.088291
C -3.726323 0.986962 -1.209348
C 2.478634 4.070799 1.564691
C -4.713008 1.811698 -0.861778
H 0.264214 -1.298681 -0.819353
H 0.450699 -3.049822 -0.891152
H 1.655644 -3.098561 1.267794
H 1.262960 -1.407847 1.599321
H -1.002538 -3.311729 1.169686
H -1.166549 -1.559122 1.292098
H 3.654372 -1.855891 0.700644
H 2.937567 -2.330115 -0.839491
H -3.138616 -2.780447 0.177040
H -2.061200 -3.179297 -1.199902
H -1.788358 -0.732169 -1.583202
H 3.601192 0.461244 1.343353
H 4.172523 2.583256 0.125165
H 2.750146 2.279144 -0.921734
H 1.331100 2.297893 1.355578
H -2.982771 1.249433 -1.960927
H 1.808149 4.587163 2.238004
H 3.356787 4.651648 1.321214
H -4.847078 2.795392 -1.292346
H -5.459313 1.547464 -0.114554


%chk=000250558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250558

0 1
O 1.773037 0.406665 -1.280169
O -4.827039 -1.143916 0.049920
N -2.734319 -1.317747 -0.974854
N 3.310538 0.909820 0.391070
C 0.152010 -2.077904 -0.154532
C 1.376284 -1.971524 0.781773
C -1.140601 -2.471062 0.594821
C 2.662301 -1.451072 0.074442
C -2.372963 -2.590954 -0.332872
C 2.542764 0.017122 -0.344312
C 3.283399 2.366365 0.153151
C -3.940103 -0.669816 -0.729385
C 2.922783 3.136871 1.407006
C -4.098496 0.628451 -1.465398
C 3.687307 4.118329 1.947845
C -5.226021 1.372921 -1.342481
H 0.023883 -1.107555 -0.669267
H 0.363618 -2.828018 -0.945647
H 1.597490 -2.968646 1.212925
H 1.132801 -1.307486 1.636265
H -0.997051 -3.447114 1.102633
H -1.359836 -1.726136 1.385064
H 3.536230 -1.597449 0.738426
H 2.836462 -2.047766 -0.840564
H -3.262653 -2.906380 0.239142
H -2.177932 -3.354574 -1.113690
H -2.055416 -0.876197 -1.597833
H 3.910273 0.556468 1.138517
H 4.259459 2.711000 -0.240297
H 2.525449 2.518721 -0.639062
H 1.965658 2.861924 1.873781
H -3.271682 0.961728 -2.109069
H 3.373537 4.663848 2.844386
H 4.645492 4.411968 1.500023
H -5.355428 2.321913 -1.873328
H -6.037335 1.021110 -0.694330


