%chk=000203129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203129

0 1
O 0.764399 -0.459680 -0.396417
O 2.592440 1.739594 0.025527
O -1.409367 2.344415 -0.179419
O -2.982433 0.316978 0.954063
O -3.557312 -1.015321 -0.826892
N -5.166355 0.124149 0.447318
C 0.398538 0.926756 -0.690557
C -1.128307 0.964098 -0.470157
C 1.161286 1.878733 0.236409
C -1.575097 0.064689 0.691168
C 2.129811 -0.651062 -0.234259
C 3.019705 0.422464 -0.006053
C 2.594055 -1.967238 -0.280865
C 4.387034 0.186541 0.158389
C 3.963188 -2.196541 -0.105450
C 4.848533 -1.133015 0.103989
C -3.894755 -0.303213 0.093048
C -6.336249 -0.586946 -0.112469
H 0.662270 1.106904 -1.757466
H -1.676751 0.695186 -1.406311
H 0.976850 2.943151 -0.007988
H 0.951912 1.691667 1.302975
H -1.406384 -1.007119 0.466776
H -1.117340 0.337305 1.659439
H -2.303272 2.418308 0.233784
H 1.896197 -2.783471 -0.455249
H 5.063952 1.021953 0.324594
H 4.341461 -3.217147 -0.138246
H 5.911979 -1.331587 0.229833
H -5.302170 0.611580 1.330641
H -7.142465 0.142540 -0.305034
H -6.712936 -1.370826 0.565681
H -6.077017 -1.066844 -1.077601


%chk=000203129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203129

0 1
O 0.780657 -0.407693 -0.476045
O 2.660031 1.663567 0.376478
O -1.367469 2.577238 -0.548185
O -3.168029 0.758406 0.714049
O -3.501448 -1.463907 -0.040062
N -5.285071 0.032380 0.311810
C 0.459563 1.039555 -0.529712
C -1.072770 1.137831 -0.478020
C 1.201047 1.773376 0.597040
C -1.702281 0.509794 0.774433
C 2.163675 -0.668941 -0.314758
C 3.079265 0.343383 0.086104
C 2.621091 -1.977519 -0.567131
C 4.451871 0.043302 0.200936
C 3.994264 -2.278298 -0.437553
C 4.911034 -1.264946 -0.064064
C -3.964907 -0.344976 0.288846
C -6.363191 -0.884944 -0.069768
H 0.809485 1.445335 -1.499815
H -1.483373 0.611836 -1.365051
H 0.968641 2.847538 0.581838
H 0.956540 1.339936 1.586393
H -1.504698 -0.573951 0.814676
H -1.376765 1.015560 1.697698
H -2.345189 2.682778 -0.420628
H 1.892471 -2.736421 -0.869315
H 5.135995 0.841492 0.505780
H 4.346281 -3.296139 -0.634298
H 5.977975 -1.492893 0.027856
H -5.500350 0.974227 0.639246
H -6.954005 -0.478978 -0.911132
H -7.040053 -1.085632 0.781133
H -5.904890 -1.835294 -0.385579


