%chk=000227761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227761

0 1
O -1.885307 0.397372 -1.074693
O -0.583863 -0.021769 2.197972
O -3.996001 -0.660062 0.758680
O -0.773333 -1.986190 -0.839690
O -4.408727 1.204210 -1.233610
O 4.880115 -0.976237 -0.139205
N 2.165889 -0.459556 -0.193760
N 3.072835 0.427924 -0.696013
N 5.327854 1.119213 -0.974885
C -1.902863 0.525915 0.351278
C -1.161947 -0.643241 1.043386
C -3.363980 0.614812 0.869337
C -0.038729 -1.295715 0.197197
C -4.182572 1.667782 0.099686
C 0.900652 -0.298846 -0.442938
C 4.463035 0.085775 -0.538739
H -1.363901 1.487837 0.531429
H -1.887072 -1.438816 1.355464
H -3.359283 0.808681 1.968992
H 0.508429 -2.061450 0.798748
H -3.691640 2.654858 0.082305
H -5.206035 1.763425 0.512731
H -1.968214 -0.567404 -1.341499
H 0.408888 0.467002 -1.060195
H -0.233509 -0.695354 2.818548
H -4.383156 -0.759268 -0.152824
H -0.153367 -2.398123 -1.480409
H -3.533037 1.143867 -1.714749
H 2.792147 1.209070 -1.299789
H 5.044361 2.085669 -0.952624
H 6.312733 0.978220 -0.771129


%chk=000227761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227761

0 1
O -2.123778 0.218778 -1.210078
O -0.697258 -0.098370 2.194644
O -4.112656 -0.566561 0.955009
O -0.690054 -1.982523 -1.018492
O -4.636709 1.141152 -1.144465
O 5.015054 -0.981116 -0.067222
N 2.243763 -0.513444 -0.179043
N 3.168945 0.387698 -0.644863
N 5.357811 1.180736 -0.881011
C -1.960063 0.459626 0.242910
C -1.202239 -0.688947 0.947132
C -3.347146 0.685460 0.897594
C -0.021935 -1.277504 0.131453
C -4.170545 1.738228 0.119390
C 0.970338 -0.267679 -0.379541
C 4.558551 0.107829 -0.489091
H -1.366663 1.388944 0.361566
H -1.920770 -1.511188 1.141427
H -3.181515 1.000347 1.943234
H 0.520355 -2.021154 0.745365
H -3.570569 2.654418 -0.062319
H -5.081126 2.006539 0.679077
H -1.739604 -0.684603 -1.439514
H 0.581326 0.612322 -0.926330
H -0.584763 -0.807353 2.875595
H -4.644878 -0.583451 0.109580
H -0.002721 -2.426875 -1.575113
H -3.796909 0.808117 -1.591689
H 2.868450 1.252276 -1.120007
H 5.003877 2.109192 -1.103190
H 6.363833 1.038711 -0.833008


