%chk=000227681.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227681

0 1
O 1.187980 0.588339 0.229105
O -1.014014 -2.178347 0.260948
O -1.812715 2.379769 0.329051
O 2.386224 -1.189677 0.946298
N -1.088370 0.154635 0.547161
C 0.175041 0.385485 1.250993
C -1.539633 -1.125061 0.042298
C -1.947232 1.218218 0.067967
C 3.044588 0.046241 -1.085329
C -2.787457 -0.803203 -0.757779
C -3.014663 0.514313 -0.746067
C 2.239832 -0.317342 0.130081
C 4.534750 -0.094904 -0.808937
H 0.442349 -0.484171 1.894107
H 0.146988 1.355869 1.793457
H 2.797992 1.079704 -1.418404
H 2.734050 -0.620006 -1.921421
H -3.344894 -1.598892 -1.230113
H -3.807217 1.085562 -1.206983
H 4.779907 -1.094947 -0.420771
H 5.122013 0.059152 -1.722397
H 4.882681 0.634264 -0.065866


%chk=000227681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227681

0 1
O 1.131705 0.640286 0.003500
O -0.887386 -2.150792 -0.007537
O -2.103488 2.365461 0.478634
O 2.649088 -0.643679 1.239467
N -1.162770 0.174950 0.436143
C 0.103391 0.451587 1.067082
C -1.554701 -1.094240 -0.086562
C -2.159879 1.158166 0.150497
C 3.251017 0.181310 -1.022438
C -2.902575 -0.877004 -0.723489
C -3.254086 0.431367 -0.585519
C 2.370237 -0.013662 0.198877
C 4.679098 -0.354359 -0.817929
H 0.417715 -0.381837 1.717538
H 0.019528 1.399551 1.621615
H 3.249934 1.257362 -1.277943
H 2.753621 -0.327655 -1.871316
H -3.450552 -1.691074 -1.198070
H -4.157828 0.941349 -0.919143
H 4.664730 -1.426723 -0.560336
H 5.271943 -0.221690 -1.739775
H 5.189459 0.176326 0.004105


