%chk=000108631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108631

0 1
O -2.779199 -1.835842 0.229928
O -0.412053 2.374474 -0.058004
N -1.751380 0.638071 0.564010
N 2.013645 0.817285 -0.326284
N 3.685901 -0.631549 -0.827046
N -1.060995 -2.631436 -1.027461
C -0.848980 -0.377050 -0.021340
C 0.364847 -0.659603 0.898676
C 1.641475 -0.438668 0.181004
C -1.666418 -1.664984 -0.241285
C 2.687404 -1.315568 -0.136681
C -1.451184 1.996786 0.470482
C 3.266444 0.652518 -0.937923
C -2.472928 2.922087 1.058276
H -0.488755 0.009357 -1.020063
H 0.331068 -1.690844 1.310104
H 0.320741 -0.006044 1.801182
H -2.609053 0.285874 1.001062
H 1.438558 1.658474 -0.276654
H 2.784736 -2.360106 0.094313
H 3.805408 1.453250 -1.420579
H -1.534431 -3.506263 -1.202429
H -0.126218 -2.541488 -1.391998
H -2.151543 3.970237 0.929701
H -3.454596 2.827730 0.571836
H -2.618395 2.761404 2.135572


%chk=000108631-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108631

0 1
O -2.918456 -1.740465 0.139517
O -0.270431 2.368598 0.149577
N -1.774919 0.642622 0.503533
N 2.012675 0.794998 -0.366928
N 3.735828 -0.584279 -0.872975
N -1.059214 -2.665678 -0.916346
C -0.876225 -0.377144 -0.038441
C 0.379157 -0.663633 0.888847
C 1.678673 -0.457404 0.167624
C -1.718101 -1.650249 -0.263785
C 2.755339 -1.294644 -0.157878
C -1.420310 1.968694 0.543479
C 3.249813 0.673237 -0.979213
C -2.471494 2.927397 1.086940
H -0.494679 -0.027544 -1.017467
H 0.338010 -1.693169 1.283769
H 0.300432 0.014963 1.757839
H -2.711582 0.305726 0.765294
H 1.371075 1.605812 -0.290868
H 2.897942 -2.343954 0.096288
H 3.754191 1.497695 -1.477113
H -1.548640 -3.544394 -1.084800
H -0.092595 -2.561807 -1.229083
H -2.068211 3.949631 1.060468
H -3.395118 2.889542 0.481516
H -2.739061 2.673555 2.128607


