%chk=000207146.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207146

0 1
O -1.237146 2.301886 0.166965
O -3.887319 -0.114960 -0.022855
O 0.734499 3.096614 0.928432
O -2.593495 -2.010268 -0.175666
N 0.557937 0.903638 0.012350
N -4.754390 -1.929336 -1.042199
C -1.783956 1.060292 -0.379089
C -0.569937 0.128509 -0.577880
C -2.806001 0.576771 0.656303
C 1.881262 0.372062 0.122060
C 0.133805 2.183412 0.430678
C 2.138683 -0.944635 -0.297402
C 2.914205 1.172659 0.647186
C 3.439559 -1.461116 -0.189778
C 4.198749 0.640624 0.744723
C 4.471017 -0.666420 0.331139
C 3.709272 -2.861510 -0.636816
C -3.643382 -1.436482 -0.383568
H -2.277245 1.353760 -1.330881
H -0.702499 -0.856580 -0.065671
H -0.380131 -0.083073 -1.651877
H -3.341475 1.431311 1.122217
H -2.371249 -0.073567 1.436054
H 1.352019 -1.576456 -0.698555
H 2.720877 2.196913 0.976213
H 5.002131 1.257218 1.150775
H 5.479089 -1.062514 0.415084
H 4.747549 -3.171714 -0.460956
H 3.065207 -3.580814 -0.110234
H 3.515422 -2.979499 -1.712828
H -5.613876 -1.401142 -1.073775
H -4.811882 -2.919684 -1.234149


%chk=000207146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207146

0 1
O -1.213116 2.482420 -0.000899
O -3.803494 -0.178861 -0.142623
O 0.797184 3.173952 0.960963
O -2.455791 -2.086988 0.231862
N 0.535753 0.999808 -0.019593
N -4.613841 -2.229672 -0.681946
C -1.771759 1.208921 -0.535042
C -0.532388 0.302741 -0.770462
C -2.789499 0.690484 0.500655
C 1.832884 0.421601 0.153773
C 0.149286 2.284492 0.379881
C 2.089808 -0.865663 -0.386883
C 2.864291 1.105678 0.855504
C 3.355133 -1.485327 -0.238192
C 4.120524 0.486197 0.999828
C 4.373708 -0.797046 0.463023
C 3.600184 -2.864273 -0.829059
C -3.529571 -1.565213 -0.162992
H -2.301495 1.451442 -1.471006
H -0.713003 -0.711278 -0.376396
H -0.267553 0.236194 -1.842780
H -3.364944 1.543016 0.892694
H -2.293679 0.147001 1.324415
H 1.306338 -1.407853 -0.926621
H 2.677869 2.098289 1.268983
H 4.912333 1.015434 1.541835
H 5.357723 -1.262865 0.588537
H 4.602302 -3.241830 -0.563471
H 2.855485 -3.596629 -0.465430
H 3.529657 -2.847577 -1.933354
H -5.452988 -1.719719 -0.947986
H -4.570042 -3.240978 -0.771220


