%chk=000267761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267761

0 1
O 2.151853 -1.242485 0.838402
O 1.066039 1.686768 -1.026079
O 3.347673 2.132299 0.184285
O 4.701209 -0.988283 -0.883015
O -4.607767 -1.391940 -0.180180
N -0.012112 -0.732762 0.351678
N -1.491716 1.318341 0.288832
N -1.650286 -2.316863 0.132134
N -3.846607 0.765909 -0.025749
N -3.124637 3.036838 -0.078002
C 1.841745 0.491108 -0.811206
C 1.314109 -0.119281 0.516150
C 3.302274 0.966106 -0.646089
C 4.215923 -0.047376 0.082990
C 3.510819 -0.885034 1.159399
C -1.234302 -0.057693 0.243267
C -0.335952 -2.135857 0.272827
C -2.236126 -1.047081 0.107690
C -3.654575 -0.674106 -0.048935
C -2.881285 1.645401 0.069369
H 1.733780 -0.221401 -1.656739
H 1.312821 0.632565 1.344957
H 3.730909 1.231111 -1.640456
H 5.074350 0.507365 0.537508
H 3.974395 -1.894236 1.240861
H 3.518400 -0.366457 2.135853
H 0.440099 -2.887863 0.339024
H 0.799891 1.758797 -1.969963
H 2.616969 2.754272 -0.069854
H 5.480621 -0.630500 -1.357724
H -0.735023 1.978750 0.084387
H -2.692210 3.637901 0.615873
H -4.117180 3.261588 -0.191496


%chk=000267761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267761

0 1
O 2.160807 -1.200289 0.951179
O 1.046325 1.657929 -1.165943
O 3.300423 2.124976 0.358313
O 4.477350 -1.161905 -0.903278
O -4.619226 -1.436303 -0.291487
N -0.015566 -0.743398 0.254940
N -1.487025 1.279972 0.200781
N -1.637162 -2.342591 0.026582
N -3.853630 0.765142 0.038066
N -3.119482 2.991229 0.191522
C 1.890432 0.483433 -0.815940
C 1.296327 -0.129596 0.476584
C 3.327952 0.996374 -0.578438
C 4.216922 -0.090574 0.069118
C 3.514440 -0.714787 1.279863
C -1.236523 -0.085541 0.166396
C -0.323343 -2.130223 0.160192
C -2.233743 -1.063644 0.030356
C -3.648711 -0.658668 -0.096019
C -2.858645 1.627139 0.146936
H 1.878821 -0.283830 -1.611522
H 1.202025 0.673304 1.243046
H 3.766665 1.313335 -1.549457
H 5.154857 0.390557 0.414387
H 4.057389 -1.610475 1.615196
H 3.458512 0.033295 2.095233
H 0.454624 -2.883581 0.221688
H 0.822968 1.644279 -2.128186
H 2.629282 2.771126 0.013972
H 5.195005 -0.877703 -1.523086
H -0.737708 1.929592 -0.067653
H -2.463351 3.649314 0.606777
H -4.102909 3.248010 0.129881


