%chk=000241795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241795

0 1
O -1.806564 -1.513722 -2.184672
O -4.935912 0.286594 0.700469
N 0.322530 0.061400 -0.578379
N -2.747579 0.897690 1.063592
N -0.285157 1.366628 1.204861
N -3.370545 -0.617474 -0.747369
C 2.191372 1.319377 0.644453
C 0.759394 0.913025 0.430385
C -1.073335 -0.044056 -0.447838
C -1.421123 0.774995 0.661496
C 3.130462 0.189218 0.270442
C 2.474110 2.620980 -0.111994
C -2.024728 -0.797339 -1.228961
C -3.772689 0.190553 0.357952
C -3.103612 1.751689 2.222305
C 3.596780 0.024761 -1.041449
C 3.526448 -0.719599 1.263953
C -4.472731 -1.329902 -1.451779
C 4.452748 -1.035204 -1.354497
C 4.381213 -1.778358 0.946598
C 4.845887 -1.938789 -0.362786
H 2.310360 1.538333 1.747184
H 0.868068 -0.434120 -1.265465
H 2.273795 2.537589 -1.186031
H 3.522057 2.923703 0.008441
H 1.846630 3.438218 0.272100
H -4.198634 1.736110 2.384531
H -2.782128 2.792947 2.041666
H -2.600655 1.385890 3.135209
H 3.306518 0.727927 -1.820770
H 3.167324 -0.604642 2.286480
H -4.056789 -1.963577 -2.257973
H -5.177605 -0.605318 -1.894558
H -5.030845 -1.968812 -0.745536
H 4.814786 -1.155856 -2.375040
H 4.685425 -2.480588 1.722289
H 5.511926 -2.764372 -0.608609


%chk=000241795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241795

0 1
O -1.800538 -2.356344 -1.324849
O -5.035040 0.782725 0.087149
N 0.269500 -0.444779 -0.000084
N -2.791606 1.247174 0.598322
N -0.356526 1.491511 1.009951
N -3.410646 -0.761679 -0.601402
C 2.136187 0.947725 1.071120
C 0.696142 0.686804 0.678110
C -1.121421 -0.372353 -0.118581
C -1.472244 0.829495 0.514631
C 3.122247 0.044987 0.322816
C 2.475945 2.456534 0.914357
C -2.065522 -1.264308 -0.734381
C -3.817131 0.447780 0.034370
C -3.138295 2.513383 1.271287
C 3.249355 0.115889 -1.090594
C 3.943585 -0.865960 1.032744
C -4.507424 -1.571734 -1.179434
C 4.175481 -0.702495 -1.773542
C 4.874330 -1.684985 0.352341
C 4.992441 -1.606103 -1.053589
H 2.212687 0.708542 2.152328
H 0.862648 -1.188850 -0.369852
H 2.460240 2.757849 -0.147599
H 3.483426 2.658944 1.316787
H 1.734961 3.068138 1.454800
H -4.231075 2.625956 1.223981
H -2.645912 3.359832 0.763666
H -2.802112 2.487915 2.321362
H 2.626179 0.817324 -1.658994
H 3.855615 -0.932709 2.124295
H -4.049679 -2.459437 -1.640098
H -5.056495 -0.982973 -1.932157
H -5.216554 -1.868169 -0.389284
H 4.260846 -0.636432 -2.863860
H 5.502222 -2.382499 0.917599
H 5.711386 -2.240798 -1.583017


