%chk=000232932.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232932

0 1
O -5.844632 -0.836196 0.002255
O 6.824386 0.650800 0.722531
O 6.633853 -0.402919 -1.156302
N -0.277263 -0.660695 -0.175019
N 6.164918 0.131844 -0.164370
C -4.713854 1.710052 0.075891
C -3.865946 0.456686 0.014253
C -2.474849 0.499590 -0.006758
C -4.470536 -0.821286 -0.028131
C -4.480722 2.579448 -1.165807
C -4.432009 2.489954 1.366293
C -1.698331 -0.677733 -0.075304
C -2.329160 -1.947353 -0.131910
C -3.729084 -2.005308 -0.097908
C -1.531912 -3.204264 -0.197771
C 0.445207 0.250148 0.396236
C 1.919796 0.198346 0.233895
C 2.729380 0.782913 1.226022
C 2.510952 -0.408331 -0.887777
C 4.693109 0.153679 -0.026431
C 4.116511 0.760650 1.100824
C 3.897995 -0.433277 -1.022782
H -5.796110 1.404423 0.086121
H -1.977001 1.470740 0.011864
H -4.666058 2.010996 -2.084874
H -5.152147 3.444956 -1.171846
H -3.455636 2.959722 -1.217475
H -3.408245 2.874790 1.400658
H -5.107043 3.347669 1.461478
H -4.576982 1.856385 2.249004
H -4.231630 -2.967667 -0.129984
H -0.698791 -3.111780 -0.916403
H -1.068941 -3.426740 0.776250
H -2.125794 -4.077488 -0.491624
H -6.206508 -1.756265 -0.040116
H 0.080538 1.081400 1.021042
H 2.275643 1.249764 2.100784
H 1.875036 -0.868728 -1.650120
H 4.759883 1.208547 1.866210
H 4.371675 -0.903472 -1.891796


%chk=000232932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232932

0 1
O -5.894306 -0.750781 -0.094559
O 6.892197 1.035510 0.727265
O 6.789464 -0.647108 -0.812557
N -0.255550 -0.737722 -0.160667
N 6.234411 0.184369 0.008237
C -4.666274 1.737965 0.401579
C -3.835425 0.473976 0.171945
C -2.429325 0.459128 0.167503
C -4.487588 -0.763180 -0.105575
C -5.191402 2.286318 -0.956893
C -3.915917 2.842601 1.178905
C -1.668606 -0.717462 -0.110798
C -2.348209 -1.940796 -0.418091
C -3.758532 -1.939216 -0.396093
C -1.573489 -3.205242 -0.723251
C 0.494613 0.110418 0.504415
C 1.958189 0.114163 0.365984
C 2.733360 1.032290 1.131301
C 2.622575 -0.783009 -0.522089
C 4.760994 0.159859 0.132555
C 4.134238 1.062206 1.021378
C 4.019738 -0.766156 -0.642356
H -5.553327 1.438961 0.993528
H -1.897836 1.399330 0.347654
H -5.782224 1.521719 -1.489437
H -5.838087 3.167976 -0.791268
H -4.348929 2.592937 -1.604658
H -3.076940 3.259058 0.589601
H -4.604426 3.678418 1.398816
H -3.514260 2.468318 2.138503
H -4.295117 -2.872894 -0.613500
H -0.756491 -2.995022 -1.434639
H -1.094819 -3.611333 0.187422
H -2.230434 -3.986720 -1.142182
H -6.256747 -1.651549 -0.284823
H 0.076462 0.847864 1.221035
H 2.228378 1.723860 1.816169
H 2.010441 -1.479154 -1.102727
H 4.747878 1.757837 1.599285
H 4.551022 -1.443736 -1.315811


