%chk=000213452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213452

1 1
O -4.570908 -0.853330 0.866660
O -0.118218 -0.918447 1.145894
N -2.109109 0.356474 -0.337493
C -2.490333 -1.124782 -0.376853
C -0.633560 0.512469 -0.687466
C -2.909869 1.139725 -1.357379
C -2.372260 0.930174 1.036265
C -4.002425 -1.400463 -0.318006
C 0.340041 -0.235072 0.254982
C 1.776587 -0.059738 -0.001715
C 2.296191 0.693607 -1.072973
C 2.664409 -0.695578 0.890273
C 3.673641 0.806452 -1.242700
C 4.044651 -0.577536 0.714873
C 4.551063 0.172210 -0.349545
H -2.068194 -1.593796 -1.295312
H -1.983236 -1.635448 0.491096
H -0.451984 0.164213 -1.732775
H -0.362852 1.597673 -0.676103
H -3.989131 1.152870 -1.093145
H -2.591981 2.197715 -1.407188
H -2.821281 0.713137 -2.371831
H -2.130117 2.003149 1.094484
H -3.445486 0.802538 1.318577
H -1.782152 0.400952 1.815426
H -4.566866 -0.905389 -1.135095
H -4.184239 -2.493143 -0.379565
H -4.558395 -1.506933 1.606164
H 1.637517 1.194004 -1.780651
H 2.262947 -1.283916 1.723532
H 4.077659 1.389926 -2.073106
H 4.726955 -1.072459 1.410894
H 5.632034 0.266341 -0.489420


%chk=000213452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213452

1 1
O -4.742506 -0.742481 0.542968
O -0.012211 -0.859849 1.360675
N -2.101559 0.351750 -0.189828
C -2.460758 -1.165927 -0.186038
C -0.620149 0.542645 -0.552538
C -2.922767 1.099757 -1.241396
C -2.397825 0.975108 1.187733
C -3.937210 -1.489968 -0.426014
C 0.395605 -0.186800 0.367240
C 1.829991 -0.046876 0.024440
C 2.290978 0.714156 -1.090444
C 2.777765 -0.706287 0.861397
C 3.669826 0.809418 -1.358977
C 4.153611 -0.608626 0.587639
C 4.602351 0.148876 -0.522404
H -1.861099 -1.639295 -0.983822
H -2.115745 -1.548518 0.784429
H -0.494415 0.200322 -1.595456
H -0.422255 1.629650 -0.525639
H -3.980429 1.068764 -0.943740
H -2.577885 2.144736 -1.277219
H -2.780785 0.627788 -2.226196
H -2.173760 2.052536 1.132248
H -3.458909 0.795717 1.407410
H -1.760775 0.482385 1.933607
H -4.252039 -1.254170 -1.462582
H -4.031713 -2.585714 -0.284635
H -5.650254 -1.125961 0.623875
H 1.592300 1.236419 -1.753966
H 2.410103 -1.284520 1.715042
H 4.022572 1.394003 -2.214291
H 4.877301 -1.116578 1.232357
H 5.673746 0.225139 -0.735078


