%chk=000222981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222981

0 1
O 4.622493 -0.397028 -1.230918
O 5.370908 1.182008 0.375905
O -1.422511 -3.100388 -0.617773
O 0.815988 -2.745617 -0.635836
N -2.573685 -2.342987 -0.464513
C 1.300889 0.482303 0.172061
C 3.540589 0.112567 -0.525394
C 3.994896 1.065824 0.437107
C -0.789637 -0.886717 -0.206426
C 2.211236 -0.203968 -0.677108
C -0.143087 0.251998 0.088073
C -2.266617 -1.080823 -0.238200
C 1.754053 1.427753 1.106406
C 3.120786 1.734917 1.267342
C -3.257776 -0.015740 -0.037220
C 5.812043 0.247494 -0.670399
C -0.261450 -2.249287 -0.492678
C -3.239001 1.119984 -0.862964
C -4.221713 -0.138710 0.975320
C -4.178074 2.134319 -0.663427
C -5.155463 0.883223 1.168096
C -5.133343 2.019088 0.352719
H 1.879347 -0.951115 -1.400675
H -0.755641 1.143630 0.319298
H 1.036547 1.944313 1.746887
H 3.460731 2.458538 2.003557
H 6.285659 0.836585 -1.466644
H 6.425005 -0.527349 -0.190457
H -2.507522 1.200686 -1.666191
H -4.244700 -1.031789 1.601412
H -4.169971 3.014674 -1.305213
H -5.905370 0.789854 1.953290
H -5.864209 2.812562 0.504563


%chk=000222981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222981

0 1
O 4.849857 -0.737680 -0.663783
O 5.394039 1.429998 0.213470
O -1.605159 -3.134441 -0.927980
O 0.706519 -2.860225 -1.079863
N -2.782700 -2.285261 -0.620574
C 1.327823 0.408150 0.030079
C 3.672027 -0.042521 -0.296827
C 4.005993 1.235045 0.218180
C -0.838628 -0.989358 -0.398349
C 2.364154 -0.492836 -0.408050
C -0.094564 0.119018 -0.011425
C -2.303962 -1.065172 -0.325509
C 1.685425 1.700091 0.547283
C 3.023666 2.134736 0.651066
C -3.266713 0.005332 0.022552
C 5.978450 0.161524 -0.328245
C -0.404004 -2.343766 -0.829547
C -3.134692 1.317666 -0.508712
C -4.369607 -0.290700 0.868323
C -4.078846 2.315888 -0.185021
C -5.312056 0.709020 1.187035
C -5.167275 2.016901 0.666999
H 2.119970 -1.483877 -0.801102
H -0.711243 0.951774 0.357927
H 0.886507 2.373641 0.877505
H 3.285334 3.118404 1.046879
H 6.543633 0.399016 -1.244374
H 6.597625 -0.302311 0.457938
H -2.324648 1.545307 -1.210672
H -4.475322 -1.305273 1.265630
H -3.973335 3.320704 -0.608600
H -6.157613 0.469272 1.840781
H -5.899254 2.792736 0.916985


