%chk=000183516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183516

0 1
O -0.251718 -3.048342 -0.085732
O 2.041635 -3.640585 -0.184538
O -5.425799 0.395674 0.198970
N 1.886400 2.730983 0.686958
N 0.139584 2.261834 -0.990748
C 0.746116 1.846010 0.309125
C 1.163427 0.386469 0.171992
C 2.515045 0.025564 0.110432
C 3.599280 1.061766 0.198635
C 3.092359 2.467215 -0.158352
C 0.117941 -0.585166 0.087406
C 0.539567 -1.901410 -0.015390
C 2.920541 -1.330473 -0.008695
C -1.317652 -0.256197 0.100841
C 1.914542 -2.263627 -0.066921
C 1.506364 4.174201 0.663959
C -1.852196 0.833716 -0.608749
C -0.990775 1.780067 -1.369488
C -2.194547 -1.103872 0.820901
C 0.676156 -4.172100 -0.219885
C -3.235516 1.079616 -0.604876
C -3.560257 -0.871197 0.850628
C -4.065355 0.227725 0.127780
H -0.000341 1.936828 1.154585
H 3.994201 1.065684 1.240654
H 4.453699 0.798948 -0.455744
H 3.871279 3.222180 0.076451
H 2.881450 2.540503 -1.248096
H 3.968789 -1.610074 -0.050871
H 1.286694 4.572587 -0.339580
H 2.328244 4.759630 1.105703
H 0.616958 4.328430 1.294761
H -1.394554 2.102069 -2.344596
H -1.779525 -1.963685 1.357430
H 0.518185 -4.628313 -1.206140
H 0.545771 -4.822689 0.654545
H -3.644704 1.919957 -1.157046
H -4.243907 -1.510944 1.405726
H -5.735384 1.174620 -0.326037


%chk=000183516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183516

0 1
O -0.240654 -3.109134 0.119403
O 2.070894 -3.706539 -0.008475
O -5.516088 0.408692 0.106723
N 1.893006 2.724118 0.631985
N 0.192694 2.255722 -1.076601
C 0.784253 1.846476 0.260185
C 1.200416 0.386227 0.165063
C 2.568929 0.025521 0.084211
C 3.650609 1.096967 0.105557
C 3.087719 2.492756 -0.211616
C 0.142934 -0.592826 0.155130
C 0.568540 -1.933625 0.105074
C 2.947721 -1.344893 0.013525
C -1.301447 -0.235382 0.175433
C 1.928017 -2.292862 0.029093
C 1.503678 4.143458 0.754661
C -1.838947 0.869105 -0.570225
C -1.001059 1.808167 -1.362395
C -2.223861 -1.076138 0.867262
C 0.693649 -4.216731 -0.208579
C -3.245174 1.073658 -0.620637
C -3.606592 -0.843516 0.850521
C -4.122708 0.237716 0.096088
H -0.006721 1.944365 1.035696
H 4.108990 1.123651 1.113910
H 4.452568 0.837637 -0.612501
H 3.840110 3.264709 0.029808
H 2.840448 2.581485 -1.295595
H 3.998809 -1.640960 -0.047062
H 1.233238 4.612565 -0.217480
H 2.339329 4.710680 1.202873
H 0.633256 4.227376 1.431338
H -1.457843 2.185609 -2.294154
H -1.839144 -1.932805 1.426729
H 0.560485 -4.496878 -1.271724
H 0.513459 -5.052367 0.484139
H -3.636260 1.908185 -1.219410
H -4.300425 -1.488050 1.397608
H -5.784832 1.181461 -0.449563


