%chk=000256504.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256504

0 1
O -2.939840 -1.575366 -0.192471
O -2.885200 0.627040 0.302818
N -0.531482 0.479979 -2.906916
C 0.168359 -0.057749 0.522693
C -0.303247 -0.484023 1.943211
C -0.870172 -0.570614 -0.540582
C 1.548533 -0.688004 0.304694
C 0.257999 1.465998 0.409407
C -0.477184 -1.987993 2.114772
C -2.314137 -0.357124 -0.091401
C 2.625290 -0.211150 1.077037
C 1.207850 2.057606 -0.440327
C 1.778664 -1.736065 -0.594592
C -0.623496 2.295339 1.117774
C -0.684506 0.031448 -1.854015
C 3.897268 -0.767485 0.944622
C 1.292625 3.447156 -0.552566
C 3.056555 -2.291849 -0.728787
C -0.537165 3.686069 1.006419
C 4.118519 -1.811549 0.038676
C 0.424668 4.266654 0.175835
C -4.368351 -1.630557 0.164019
C -4.734066 -3.083962 -0.037043
H 0.433918 -0.109020 2.683876
H -1.251927 0.034399 2.199855
H -0.719743 -1.694246 -0.650245
H -0.686593 -2.238063 3.162195
H 0.428009 -2.539448 1.828538
H -1.310129 -2.381731 1.517897
H 2.467615 0.608931 1.778870
H 1.884214 1.435877 -1.029279
H 0.969579 -2.137787 -1.204974
H -1.408886 1.859254 1.740472
H 4.721173 -0.386715 1.546795
H 2.032762 3.891130 -1.216503
H 3.218700 -3.102286 -1.438304
H -1.230419 4.315407 1.562031
H 5.111740 -2.243190 -0.066223
H 0.491528 5.349100 0.087920
H -4.464978 -1.287656 1.208295
H -4.904279 -0.941060 -0.511242
H -5.796511 -3.258151 0.174534
H -4.539785 -3.407760 -1.069721
H -4.146772 -3.743883 0.615837


%chk=000256504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256504

0 1
O -2.947582 -1.510666 -0.143887
O -2.770713 0.756776 -0.661052
N -0.057700 0.029101 -3.199616
C 0.178573 -0.172327 0.428145
C -0.372680 -0.739205 1.788943
C -0.761269 -0.724961 -0.741453
C 1.629708 -0.699531 0.259780
C 0.174420 1.380745 0.417840
C -0.330878 -2.273331 1.951488
C -2.244846 -0.364097 -0.522675
C 2.630789 -0.161383 1.114355
C 0.959759 2.075193 -0.541683
C 2.006017 -1.737347 -0.628143
C -0.602413 2.148084 1.321509
C -0.361876 -0.288776 -2.091351
C 3.955193 -0.642024 1.084778
C 0.961241 3.483441 -0.601652
C 3.336492 -2.217111 -0.668007
C -0.595999 3.560283 1.270894
C 4.317460 -1.676401 0.189770
C 0.182712 4.236346 0.307171
C -4.417579 -1.327050 0.094094
C -4.983701 -2.700158 0.436344
H 0.224475 -0.274074 2.595825
H -1.415400 -0.398572 1.935614
H -0.705990 -1.828485 -0.719287
H -0.661866 -2.546524 2.970079
H 0.689203 -2.670181 1.811113
H -1.008561 -2.783034 1.243811
H 2.369721 0.654172 1.798880
H 1.582365 1.511268 -1.244176
H 1.281594 -2.183543 -1.316454
H -1.226818 1.659656 2.075195
H 4.705404 -0.206219 1.754156
H 1.570707 3.990948 -1.357522
H 3.601109 -3.012748 -1.373359
H -1.206872 4.129197 1.980986
H 5.347389 -2.048550 0.159026
H 0.183483 5.331237 0.263542
H -4.544742 -0.595688 0.912745
H -4.859019 -0.897836 -0.823154
H -6.070041 -2.618256 0.622141
H -4.827163 -3.409868 -0.393591
H -4.507407 -3.111599 1.342740


