%chk=000229913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229913

0 1
O 4.759334 -0.996377 -0.515691
O 1.873227 0.857824 -1.390192
O 1.862772 0.876010 0.878085
O -3.061305 2.510748 0.380415
O -5.328842 0.788232 1.178679
N -3.209052 0.199728 0.360972
N -5.170030 -1.025384 -0.222045
C 3.719641 -0.732115 -1.460721
C 3.329896 0.748232 -1.426341
C 4.314225 -1.152328 0.864124
C 5.609927 -1.276057 1.643849
C 1.255110 0.924883 -0.166134
C -0.208127 1.053452 -0.392670
C -1.038382 1.251759 0.629684
C -2.516478 1.440021 0.454906
C -4.648021 0.077657 0.478737
H 2.845072 -1.385170 -1.294723
H 4.204542 -1.009582 -2.417643
H 3.775802 1.272274 -0.559481
H 3.565682 1.288088 -2.360336
H 3.718355 -0.268178 1.161705
H 3.692924 -2.061538 0.923729
H 5.419666 -1.433210 2.710898
H 6.216379 -2.113999 1.274496
H 6.224894 -0.372545 1.535733
H -0.526352 0.993103 -1.439072
H -0.696397 1.335793 1.671855
H -2.663723 -0.665214 0.301999
H -4.695676 -1.422507 -1.016293
H -6.180464 -1.111902 -0.246224


%chk=000229913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229913

0 1
O 4.788990 -1.183647 -0.507781
O 1.417456 0.488826 -0.822856
O 1.318499 0.822324 1.496197
O -3.713936 1.896688 1.785961
O -5.993949 0.713486 0.380107
N -3.668972 0.363408 -0.019126
N -5.276938 -0.328404 -1.578243
C 3.333961 -1.049464 -0.458840
C 2.904743 0.405643 -0.745156
C 5.476461 -0.756424 0.730356
C 6.941799 -1.165519 0.592171
C 0.742813 0.697957 0.388693
C -0.720058 0.748162 0.136985
C -1.599529 0.963650 1.155654
C -3.086861 1.122726 1.018610
C -5.066094 0.296110 -0.348774
H 2.933293 -1.377609 0.523212
H 2.947043 -1.715019 -1.249120
H 3.260765 1.093997 0.040687
H 3.255614 0.729444 -1.736557
H 5.385016 0.341967 0.865915
H 4.999958 -1.252249 1.603748
H 7.511730 -0.864102 1.489868
H 7.027557 -2.258771 0.470272
H 7.396751 -0.682438 -0.289735
H -1.025764 0.641469 -0.910411
H -1.215444 1.138169 2.168421
H -3.041902 -0.272894 -0.517923
H -4.541956 -0.503797 -2.261104
H -6.246446 -0.461989 -1.858931


