%chk=000212045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212045

0 1
O 0.965760 2.585309 -0.786221
O 1.307747 -2.604083 0.686671
O 2.826366 -1.454846 -1.156330
O -3.709354 1.047873 -0.461299
O -3.448881 -1.658405 -0.136821
N 2.979926 0.553477 -0.079966
C 0.924595 1.917609 0.490636
C -0.133267 0.845307 0.311611
C 0.046464 -0.537405 0.448154
C 2.356452 1.483811 0.877265
C 1.382792 -1.183048 0.753532
C 2.440291 -0.717940 -0.266516
C -1.410671 1.355768 -0.008282
C -1.052613 -1.410228 0.313456
C -2.494109 0.496643 -0.158646
C -2.307540 -0.901790 0.015095
H 0.565378 2.649710 1.260038
H 3.005388 2.386189 0.960711
H 2.348656 1.025180 1.895281
H 1.688545 -0.998022 1.812964
H 3.484248 0.975820 -0.861248
H -1.555942 2.426897 -0.168607
H -0.895503 -2.484274 0.450767
H 1.449759 3.431932 -0.718552
H 1.519532 -2.917949 -0.239686
H -4.404584 0.336044 -0.564954
H -3.260336 -2.624878 -0.030553


%chk=000212045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212045

0 1
O 0.966065 2.716705 -0.803494
O 1.288975 -2.663928 0.692922
O 2.933305 -1.617186 -1.079002
O -3.800887 1.041181 -0.436513
O -3.511938 -1.643150 -0.184263
N 2.914820 0.517736 -0.136905
C 0.931169 1.955838 0.472868
C -0.142772 0.879040 0.314213
C 0.043674 -0.528936 0.447489
C 2.353004 1.471840 0.827519
C 1.388450 -1.218442 0.770840
C 2.488230 -0.779479 -0.232241
C -1.438851 1.379922 0.018672
C -1.072184 -1.389847 0.289905
C -2.535545 0.524188 -0.143734
C -2.340091 -0.874445 -0.004690
H 0.615497 2.642796 1.291300
H 3.027413 2.346131 0.868195
H 2.352537 1.024419 1.840328
H 1.704109 -0.970441 1.804376
H 3.535750 0.856777 -0.874701
H -1.590695 2.454241 -0.118849
H -0.895686 -2.465763 0.398277
H 1.359306 3.611795 -0.632303
H 1.817275 -2.922607 -0.122699
H -4.440767 0.286420 -0.524887
H -3.331065 -2.610104 -0.104122


