%chk=000179374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179374

0 1
O 0.475054 -2.066862 -0.806143
N 1.287492 0.908722 -0.416876
N -2.191529 0.853069 0.427588
N -0.253363 2.442687 0.301921
N -1.657358 -1.451147 -0.174655
N -3.812697 -0.899586 0.642794
C 0.082301 0.220833 -0.253934
C -0.852609 1.196426 0.185809
C 2.561034 0.280760 -0.822228
C 1.053605 2.235308 -0.063413
C -0.280217 -1.191401 -0.444988
C -2.505251 -0.526437 0.259055
C 3.321826 -0.194720 0.390337
C 3.164174 -1.421438 0.881383
H 2.324922 -0.585539 -1.500400
H 3.160382 1.005350 -1.417574
H 1.805378 3.012963 -0.081763
H -2.819787 1.530946 0.852540
H 3.997186 0.535750 0.831926
H -4.567822 -0.275807 0.387541
H -4.039101 -1.879300 0.459476
H 3.697823 -1.791289 1.746357
H 2.475960 -2.150988 0.453546


%chk=000179374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179374

0 1
O 0.446617 -2.109948 -0.838320
N 1.245547 0.894713 -0.421972
N -2.206748 0.859214 0.392153
N -0.304677 2.455383 0.215884
N -1.712370 -1.452032 -0.143181
N -3.868201 -0.828376 0.500593
C 0.034743 0.203799 -0.244442
C -0.879155 1.197380 0.142649
C 2.551595 0.264463 -0.753360
C 0.992991 2.225981 -0.131456
C -0.345695 -1.197854 -0.439111
C -2.554504 -0.490448 0.236809
C 3.293421 -0.204913 0.488117
C 3.414576 -1.512805 0.822594
H 2.337132 -0.595277 -1.407932
H 3.145490 1.010706 -1.312645
H 1.759099 2.995801 -0.184001
H -2.870654 1.585774 0.664656
H 3.728386 0.577884 1.126696
H -4.571080 -0.162227 0.808062
H -4.112023 -1.808225 0.379045
H 3.955561 -1.824704 1.723559
H 2.947352 -2.295992 0.213902


