%chk=000280457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280457

0 1
O -2.388000 1.315451 0.571808
O -2.654288 -1.266242 2.646109
O -4.037330 2.147323 -1.784472
N -0.160762 0.747565 1.105103
N -2.863115 -2.013663 -0.784261
N 1.889039 1.795802 1.011967
N 0.214239 -0.945007 -0.710086
N 4.072407 0.797321 -1.041421
N 2.444689 -0.788896 -1.703951
C -3.077304 -0.955601 0.222977
C -2.060025 -0.910600 1.406710
C -1.575218 0.568227 1.480752
C -2.933474 0.429632 -0.461817
C -4.261592 1.066052 -0.876142
C 0.572669 0.109106 0.092725
C 0.698560 1.789187 1.609810
C -3.133906 -3.376641 -0.250645
C 1.855831 0.762848 0.056307
C 2.819908 0.281307 -0.890132
C 1.202905 -1.324981 -1.573083
C 4.533555 1.937295 -0.219567
C 5.029927 0.267327 -2.036671
H -4.106902 -1.080352 0.648542
H -1.229600 -1.647626 1.309846
H -1.749635 1.041859 2.477969
H -2.201268 0.426052 -1.301292
H -4.833307 1.433434 -0.005008
H -4.873776 0.358046 -1.473099
H -1.897920 -1.967479 -1.150261
H -3.503637 -0.796037 2.790569
H 0.370712 2.456739 2.394082
H -2.943298 -4.107670 -1.054251
H -4.197521 -3.466655 0.024304
H -2.529847 -3.659994 0.625513
H -3.469035 2.828399 -1.359336
H 0.968730 -2.167171 -2.247501
H 5.562596 2.224896 -0.479481
H 4.500004 1.683835 0.858654
H 3.875335 2.817517 -0.361218
H 5.946828 -0.087471 -1.536652
H 5.292616 1.046816 -2.771792
H 4.603210 -0.589548 -2.598409


%chk=000280457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280457

0 1
O -2.516466 1.380527 0.591123
O -2.792336 -1.065075 2.770430
O -4.158870 2.252431 -1.635874
N -0.175069 0.821945 1.036896
N -2.702303 -2.026016 -0.715506
N 1.914658 1.777363 1.041487
N 0.131884 -0.811860 -0.822733
N 4.086152 0.755080 -1.040386
N 2.386269 -0.713898 -1.777655
C -3.033646 -0.963238 0.231193
C -2.098007 -0.809937 1.501627
C -1.582927 0.659206 1.458036
C -2.971509 0.420136 -0.466804
C -4.304532 0.947700 -0.985632
C 0.550866 0.180654 0.020687
C 0.699413 1.769757 1.601264
C -2.977519 -3.398437 -0.252507
C 1.847739 0.780442 0.040393
C 2.801454 0.291475 -0.919758
C 1.121774 -1.195008 -1.687511
C 4.607913 1.826717 -0.166796
C 4.998278 0.203536 -2.059520
H -4.061934 -1.147531 0.612144
H -1.277598 -1.542492 1.485106
H -1.655951 1.120899 2.456778
H -2.221821 0.404161 -1.279818
H -5.032333 0.999875 -0.145917
H -4.691381 0.267534 -1.761762
H -1.730882 -1.888845 -1.042879
H -3.660063 -0.584510 2.762297
H 0.384122 2.419714 2.415117
H -2.684274 -4.112936 -1.041626
H -4.062275 -3.524320 -0.074115
H -2.449951 -3.686928 0.687817
H -3.699630 2.854799 -0.995734
H 0.861721 -1.985862 -2.398237
H 5.657483 2.016013 -0.442699
H 4.555727 1.539391 0.896970
H 4.026971 2.757832 -0.280706
H 5.891968 -0.235126 -1.576703
H 5.324861 1.001032 -2.753484
H 4.465025 -0.575798 -2.621804


