%chk=000263727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263727

0 1
O 1.410995 -2.385134 -1.622538
O 1.216656 2.212465 -1.869396
O 0.273710 2.062966 1.962696
O 1.353561 -1.022736 2.462534
O 2.434211 1.991880 1.338279
N 1.446941 -0.095977 -2.015069
N 1.531114 -2.893653 1.188553
C -0.541648 -0.028485 0.260657
C 0.787033 -0.792994 0.149211
C 0.756398 0.756241 0.078762
C -1.628586 -0.089476 -0.798817
C 1.237923 -1.261384 -1.222450
C 1.157602 1.141072 -1.339610
C 1.262307 -1.549250 1.366799
C -2.579275 -1.269346 -0.508536
C -2.394809 1.249383 -0.834468
C 1.298903 1.636686 1.157691
C -3.450311 -1.039232 0.733268
C -3.257378 1.467614 0.414536
C -4.212155 0.289858 0.647966
H -0.965393 0.021526 1.289494
H -1.181687 -0.254356 -1.810659
H -1.999020 -2.204639 -0.395151
H -3.232042 -1.421730 -1.391368
H -3.038381 1.266531 -1.736252
H -1.683783 2.090667 -0.951761
H 1.778193 -0.134062 -2.979169
H -2.824066 -1.054890 1.646505
H -4.165582 -1.876489 0.845409
H -3.834624 2.406008 0.308338
H -2.608900 1.613896 1.301277
H -4.956504 0.243265 -0.170279
H -4.790446 0.452295 1.577073
H 1.871025 -3.437428 1.970102
H 1.508867 -3.354800 0.285207
H 0.602650 2.615007 2.729464


%chk=000263727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263727

0 1
O 1.416094 -2.495208 -1.573342
O 1.397146 2.186471 -1.873073
O 0.367419 2.130770 1.979264
O 1.085282 -0.972165 2.548688
O 2.576158 1.864500 1.294924
N 1.391809 -0.175553 -2.025161
N 1.667974 -2.820598 1.243951
C -0.546001 0.010153 0.223511
C 0.783058 -0.819296 0.155019
C 0.790885 0.739060 0.070064
C -1.653075 -0.027966 -0.826263
C 1.214907 -1.305348 -1.207986
C 1.223623 1.065995 -1.354628
C 1.201564 -1.542007 1.420892
C -2.598257 -1.241099 -0.587035
C -2.458811 1.305517 -0.808070
C 1.364481 1.602829 1.161557
C -3.469529 -1.081840 0.683817
C -3.324771 1.463620 0.465254
C -4.262722 0.247631 0.661043
H -0.890251 0.064458 1.263722
H -1.201738 -0.137325 -1.832591
H -2.008485 -2.177502 -0.536371
H -3.266392 -1.332606 -1.467292
H -3.122997 1.311994 -1.696273
H -1.770276 2.165567 -0.915618
H 1.657044 -0.237543 -3.011468
H -2.832617 -1.115246 1.590764
H -4.164526 -1.939776 0.762300
H -3.919651 2.394030 0.390466
H -2.672236 1.582145 1.353092
H -4.995899 0.217747 -0.171924
H -4.844700 0.359837 1.595892
H 1.954985 -3.349637 2.066939
H 1.704396 -3.237316 0.306279
H 0.789609 2.647005 2.717955


