%chk=000231988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231988

0 1
O 2.703441 0.133512 -0.143837
O -3.895730 0.585268 -0.053610
O 2.485069 -2.137535 0.044689
N -2.082509 -0.842319 0.027471
C -1.017504 0.103311 -0.069869
C 0.296145 -0.418214 -0.052756
C 1.349880 0.484416 -0.146370
C -1.237072 1.486446 -0.178058
C 1.164303 1.872469 -0.255621
C -0.144643 2.353404 -0.269542
C -3.469048 -0.546664 0.030116
C -4.340531 -1.766060 0.145906
C 3.190187 -1.168578 -0.047459
C 4.674729 -1.074144 -0.083551
H 0.483853 -1.489482 0.030675
H -2.256398 1.886443 -0.190941
H 2.021181 2.535340 -0.325971
H -0.321645 3.427350 -0.353428
H -1.794428 -1.822118 0.101560
H -4.205379 -2.463073 -0.692002
H -5.402741 -1.465646 0.141867
H -4.171410 -2.319127 1.079552
H 5.032320 -0.034237 -0.174838
H 5.080974 -1.643018 -0.935759
H 5.114856 -1.499344 0.833179


%chk=000231988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231988

0 1
O 2.733334 0.159963 -0.147322
O -4.022929 0.583536 -0.052730
O 2.497233 -2.176957 0.050081
N -2.112271 -0.782633 0.026651
C -1.056026 0.167618 -0.071593
C 0.266307 -0.357250 -0.054893
C 1.351322 0.536957 -0.150167
C -1.279325 1.564999 -0.181409
C 1.154556 1.931523 -0.261030
C -0.164457 2.426636 -0.274964
C -3.494027 -0.562459 0.031901
C -4.316630 -1.846625 0.149719
C 3.216846 -1.159740 -0.048400
C 4.729566 -1.151019 -0.079943
H 0.447360 -1.431004 0.029492
H -2.300867 1.946740 -0.191203
H 2.023253 2.591360 -0.333014
H -0.331412 3.505582 -0.360196
H -1.813017 -1.758323 0.101011
H -4.116771 -2.531034 -0.695578
H -5.382946 -1.579921 0.143948
H -4.090223 -2.385183 1.088722
H 5.124964 -0.130296 -0.173729
H 5.079044 -1.766381 -0.927281
H 5.115018 -1.617690 0.843330


