%chk=000257124.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257124

0 1
O -1.870671 -0.063097 -3.034813
O -0.821934 2.001782 1.178568
O -2.502518 4.817187 -1.341866
N 0.049687 -0.470802 -1.939256
N 0.609177 0.559237 0.168677
N 2.120674 -0.969014 -0.886348
C -1.642334 1.123929 -0.914617
C -2.941097 0.556585 -0.296985
C -2.771575 -0.858486 0.266941
C -1.866626 2.496347 -1.583413
C -4.056582 -1.346711 0.974675
C -1.222217 0.181015 -2.043509
C -0.604449 1.283395 0.234047
C -2.436424 3.568329 -0.644927
C -4.271019 -0.612731 2.303169
C -3.980571 -2.861658 1.206540
C 0.925829 -0.253523 -0.823890
C 3.193930 -0.962183 0.076136
C 4.272357 -1.825633 -0.218924
C 3.208843 -0.169129 1.230557
C 5.358003 -1.881739 0.654193
C 4.308749 -0.243542 2.090579
C 5.381601 -1.093229 1.810280
H -3.275507 1.240837 0.514068
H -3.744577 0.566655 -1.061551
H -2.514575 -1.564029 -0.546502
H -1.925469 -0.894223 0.981462
H -2.542873 2.371717 -2.456477
H -0.909739 2.874774 -2.003373
H -4.931142 -1.138682 0.308673
H -3.434761 3.305190 -0.257453
H -1.755771 3.792009 0.205817
H -3.452742 -0.801999 3.007911
H -5.199404 -0.930357 2.789259
H -4.327250 0.472403 2.161941
H -4.879551 -3.228773 1.714346
H -3.891613 -3.411111 0.263813
H -3.123280 -3.133758 1.832112
H 0.306476 -1.097703 -2.709351
H 2.269349 -1.576074 -1.697638
H -3.167148 4.782941 -2.056539
H 4.270128 -2.445205 -1.111788
H 2.378924 0.506854 1.474839
H 6.193267 -2.545854 0.432060
H 4.321814 0.373765 2.990304
H 6.232209 -1.142307 2.486853


%chk=000257124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257124

0 1
O -1.974040 -0.815583 -2.555617
O -1.009236 0.982756 1.777017
O -1.464950 4.501368 -1.148379
N 0.156566 -0.798488 -1.664828
N 0.733062 0.244665 0.433592
N 2.382435 -0.773872 -0.936147
C -1.581891 0.627625 -0.581243
C -3.052350 0.396453 -0.134887
C -3.316763 -1.001468 0.468585
C -1.415445 2.034400 -1.291713
C -4.807551 -1.253554 0.823222
C -1.193198 -0.389980 -1.664304
C -0.613962 0.604060 0.641801
C -1.755483 3.257905 -0.414094
C -5.317551 -0.295172 1.927185
C -5.011512 -2.726433 1.250809
C 1.080042 -0.403849 -0.666212
C 3.558138 -0.629681 -0.134625
C 4.760871 -1.150733 -0.684727
C 3.570630 -0.010170 1.141804
C 5.968332 -1.055573 0.034608
C 4.789296 0.072026 1.849670
C 5.989512 -0.443208 1.309615
H -3.294929 1.166879 0.615878
H -3.705328 0.547258 -1.016321
H -2.998272 -1.779351 -0.254173
H -2.707016 -1.127339 1.385828
H -2.073315 2.024685 -2.184957
H -0.374528 2.161430 -1.647678
H -5.408642 -1.076593 -0.095136
H -2.811964 3.235889 -0.082161
H -1.112323 3.304040 0.477377
H -4.704661 -0.397256 2.843330
H -6.366838 -0.523894 2.191843
H -5.276685 0.763016 1.611898
H -6.074361 -2.933996 1.475533
H -4.688428 -3.424711 0.455945
H -4.423894 -2.953520 2.161503
H 0.416490 -1.450055 -2.412842
H 2.550904 -1.212785 -1.844618
H -2.087410 4.577131 -1.915767
H 4.752567 -1.631403 -1.672641
H 2.640321 0.389484 1.548706
H 6.888969 -1.459790 -0.399713
H 4.794856 0.549646 2.835486
H 6.927135 -0.368860 1.870147


