%chk=000261121.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261121

0 1
O -0.045122 -1.235313 -0.013772
O 2.742922 0.398170 0.780496
O 2.138401 -1.807868 0.542549
O -2.294149 0.887918 -0.206137
O -3.549087 -0.929437 -0.813346
N 1.199144 2.091568 -0.718179
N 0.931603 3.433718 -0.241147
C 0.469996 1.104939 0.127747
C -0.088817 -0.007674 -0.801530
C 1.356106 0.342181 1.150494
C 0.957870 -1.152536 0.997157
C -1.536688 0.239870 -1.250156
C 3.162656 -0.855517 0.156332
C -2.327229 -1.045768 -1.574172
C -3.339731 -0.006268 0.280387
C 3.203898 -0.705685 -1.349759
C 4.457219 -1.279702 0.815473
C -2.851242 -0.741377 1.513642
C -4.601307 0.813188 0.446377
H -0.388199 1.582826 0.680750
H 0.574031 -0.189876 -1.684465
H 1.315868 0.761039 2.170778
H 0.582519 -1.742296 1.847152
H -1.540326 0.983708 -2.079816
H -2.654538 -1.124184 -2.621528
H -1.812399 -1.969528 -1.250402
H 2.226683 1.923043 -0.599604
H 3.571725 -1.623397 -1.827050
H 2.198931 -0.512692 -1.764108
H 3.853242 0.122939 -1.654791
H 4.441090 -1.055224 1.892149
H 4.609332 -2.363152 0.711465
H 5.324989 -0.765376 0.387372
H -3.554181 -1.530117 1.806584
H -1.882805 -1.227843 1.310855
H -2.716216 -0.064108 2.362060
H -4.424069 1.686469 1.085733
H -4.953723 1.183368 -0.527474
H -5.411696 0.217931 0.883293
H 1.479560 4.075084 -0.827631
H -0.052360 3.646778 -0.453776


%chk=000261121-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261121

0 1
O 0.021817 -0.992887 0.076918
O 2.816068 0.500930 0.186953
O 2.187225 -1.627497 1.016617
O -2.387237 0.774786 0.153186
O -3.698237 -0.715876 -1.109635
N 1.023480 2.420135 -0.863733
N 1.302062 3.662922 -0.207353
C 0.503819 1.390115 0.046263
C -0.137078 0.225387 -0.754367
C 1.551022 0.672844 0.944973
C 1.024340 -0.767709 1.133645
C -1.618319 0.458227 -1.074269
C 3.206758 -0.945363 0.175215
C -2.341469 -0.773726 -1.684436
C -3.533526 -0.181249 0.259543
C 3.157870 -1.467778 -1.265042
C 4.563371 -1.113998 0.857666
C -3.184153 -1.297520 1.256253
C -4.792498 0.605555 0.611079
H -0.256528 1.861234 0.689762
H 0.408374 0.081517 -1.713400
H 1.761057 1.198538 1.890838
H 0.556812 -1.016627 2.097779
H -1.675960 1.343388 -1.737412
H -2.457199 -0.713254 -2.777738
H -1.831123 -1.713648 -1.402146
H 1.831215 2.048664 -1.392403
H 3.477072 -2.523790 -1.291486
H 2.130732 -1.409101 -1.659414
H 3.833449 -0.875801 -1.906886
H 4.531306 -0.684098 1.871826
H 4.817917 -2.185217 0.932652
H 5.348155 -0.601881 0.275088
H -3.997668 -2.043304 1.286281
H -2.241395 -1.790907 0.967575
H -3.056572 -0.870327 2.266633
H -4.668958 1.099459 1.589633
H -4.976914 1.372546 -0.157742
H -5.662288 -0.071869 0.661136
H 2.240992 3.760846 0.199776
H 0.996109 4.466132 -0.759827


