%chk=000259726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259726

0 1
O 0.349080 -1.733023 -1.283120
N -3.194769 0.407704 -0.483012
N 1.668299 -0.331085 -0.090229
C -3.991160 -0.177559 0.647968
C -4.550023 -0.156305 -0.766210
C -2.026748 -0.365620 -0.978655
C -4.487322 0.791674 1.687924
C -0.781500 0.111332 -0.213707
C 0.418968 -0.726495 -0.590091
C 1.885173 0.903772 0.698792
C 2.881165 -1.106164 -0.466567
C 1.904341 2.136827 -0.167954
C 3.468705 -1.807528 0.728365
C 1.642242 3.353204 0.302936
C 4.778560 -1.948043 0.915783
H -3.692118 -1.149383 1.069379
H -5.301316 0.583437 -1.055498
H -4.676752 -1.085150 -1.321323
H -2.123102 -1.471667 -0.896211
H -1.913985 -0.145926 -2.065571
H -5.457842 0.473490 2.087822
H -3.781789 0.873646 2.523654
H -4.612913 1.804478 1.276610
H -0.961133 0.056475 0.880442
H -0.608951 1.189557 -0.427929
H 1.106799 0.979332 1.493412
H 2.859622 0.823258 1.242306
H 3.615414 -0.429919 -0.957856
H 2.592855 -1.876605 -1.233532
H 2.163475 1.965033 -1.214886
H 2.734461 -2.218913 1.424570
H 1.671952 4.242355 -0.312358
H 1.378259 3.564395 1.329196
H 5.200264 -2.478953 1.757667
H 5.532286 -1.556932 0.247983


%chk=000259726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259726

0 1
O 0.338559 -1.746903 -1.473284
N -3.183624 0.469038 -0.500554
N 1.682298 -0.394023 -0.139935
C -3.981627 -0.047211 0.679212
C -4.562638 -0.106455 -0.726280
C -2.053767 -0.392135 -0.954062
C -4.446959 0.970380 1.703706
C -0.777692 0.038457 -0.212479
C 0.443128 -0.768455 -0.664710
C 1.886528 0.773641 0.752182
C 2.896060 -1.135918 -0.573056
C 2.078860 2.074375 -0.011222
C 3.532437 -1.903521 0.567782
C 1.394322 3.218597 0.234122
C 4.808478 -1.729430 0.995248
H -3.654886 -1.017030 1.089592
H -5.329079 0.615273 -1.029120
H -4.639029 -1.093791 -1.203904
H -2.236967 -1.479586 -0.795429
H -1.921981 -0.241755 -2.040177
H -5.330306 0.600072 2.257235
H -3.648577 1.191659 2.436623
H -4.718710 1.916234 1.203898
H -0.924882 -0.088080 0.879966
H -0.610303 1.118300 -0.382732
H 1.045057 0.869032 1.459941
H 2.787846 0.555403 1.358428
H 3.627972 -0.431232 -1.014447
H 2.557633 -1.829957 -1.364591
H 2.834272 2.051091 -0.810545
H 2.885128 -2.649528 1.051513
H 1.580141 4.133951 -0.338219
H 0.627838 3.275032 1.017876
H 5.229801 -2.327253 1.810890
H 5.475165 -0.993572 0.526633


