%chk=000244582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244582

0 1
O 2.023608 -1.755089 0.110353
O -0.067494 2.010577 -1.463065
O -0.683092 -2.591691 0.345162
O -0.997844 0.827471 1.742495
O -2.009330 -0.180150 -1.635340
N 2.566371 1.042444 0.430870
C 1.361547 0.483039 -0.227907
C 0.915590 -0.878576 0.359641
C 0.216712 1.524030 -0.135061
C -0.332606 -1.400109 -0.379771
C -1.147890 0.960566 0.321631
C -1.512106 -0.400462 -0.317907
H 1.617800 0.324786 -1.314096
H 0.729140 -0.833646 1.458624
H 0.500556 2.386776 0.514437
H -0.102125 -1.669710 -1.435356
H -1.952575 1.702725 0.097659
H -2.376578 -0.869090 0.210824
H 3.365433 0.428788 0.264777
H 2.441108 1.092720 1.440415
H 1.782326 -2.670491 0.388590
H 0.691641 2.537228 -1.797335
H -1.308646 -3.135307 -0.178939
H -1.850094 0.576823 2.156814
H -1.422050 0.456148 -2.128119


%chk=000244582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244582

0 1
O 2.057700 -1.851255 -0.101524
O -0.128608 1.400051 -1.800940
O -0.601474 -2.694085 -0.182874
O -0.644497 1.063877 1.797972
O -2.424638 -0.211834 -1.239047
N 2.322403 1.108391 0.977350
C 1.466435 0.501487 -0.059711
C 0.971681 -0.935379 0.270389
C 0.276844 1.459403 -0.373276
C -0.310460 -1.282027 -0.497618
C -1.005839 1.051123 0.368656
C -1.487943 -0.350573 -0.113463
H 2.074807 0.406931 -0.981761
H 0.765024 -1.009996 1.357359
H 0.585062 2.485679 -0.099380
H -0.119254 -1.173170 -1.584959
H -1.815952 1.778329 0.159657
H -2.075236 -0.831959 0.690077
H 3.191454 0.581140 1.117671
H 1.811034 1.238939 1.859701
H 1.687773 -2.770633 -0.034077
H 0.611489 1.729951 -2.366326
H -1.352372 -2.997438 -0.752386
H -1.461690 0.942259 2.341578
H -1.944341 0.330589 -1.923671


