%chk=000213576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213576

0 1
O 4.644611 0.300541 1.105054
O 1.759389 -0.188124 -2.400595
O -1.524536 2.464577 1.258431
O 0.909742 1.962058 0.300248
N 2.549856 -0.927760 -0.392730
C 2.493834 -0.860169 1.090435
C 3.949095 -0.921117 -0.906870
C 3.289112 0.356585 1.594911
C 4.726011 0.276694 -0.336500
C 1.553692 -0.358806 -1.210712
C 0.205202 -0.131354 -0.591405
C -0.803559 -1.094621 -0.776591
C -2.093493 -0.881106 -0.290416
C -0.091463 1.045645 0.093869
C -1.411721 1.260159 0.589089
C -2.404757 0.311163 0.399620
C -3.173390 -1.905555 -0.509237
C -3.744598 -2.410952 0.785142
C -2.862552 2.918455 1.580535
C -5.036144 -2.679717 0.962315
H 2.940896 -1.801189 1.486981
H 1.443839 -0.825941 1.447988
H 3.937038 -0.889093 -2.022315
H 4.427233 -1.878945 -0.605635
H 2.822898 1.309413 1.276677
H 3.432511 0.345130 2.688691
H 5.813526 0.191885 -0.507194
H 4.352080 1.237347 -0.732982
H -0.560116 -2.008942 -1.320403
H -3.414128 0.463210 0.775276
H -3.965461 -1.467230 -1.156770
H -2.787814 -2.775531 -1.088149
H -3.009950 -2.559209 1.579545
H 0.535312 2.817091 0.661930
H -2.663980 3.905421 2.018598
H -3.318327 2.246592 2.313990
H -3.466045 3.002744 0.671947
H -5.437402 -3.063023 1.889474
H -5.792242 -2.546324 0.202856


%chk=000213576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213576

0 1
O 5.071038 0.395470 0.977060
O 1.610612 -0.913557 -2.333083
O -1.592855 2.330947 1.307761
O 0.855175 1.838560 0.467606
N 2.692333 -0.598225 -0.299937
C 2.748158 -0.463656 1.169938
C 4.017133 -0.821046 -0.921146
C 3.737342 0.656520 1.550141
C 4.978937 0.303258 -0.492465
C 1.553031 -0.622300 -1.092148
C 0.206873 -0.340557 -0.460827
C -0.838303 -1.272690 -0.713160
C -2.159182 -1.055360 -0.274611
C -0.112255 0.851754 0.221298
C -1.449860 1.085201 0.656165
C -2.464160 0.145502 0.424528
C -3.267500 -2.065948 -0.576117
C -4.127044 -2.402276 0.629413
C -2.931900 2.713570 1.760100
C -5.475301 -2.258949 0.689341
H 3.104220 -1.423430 1.599707
H 1.748491 -0.248294 1.573573
H 3.879721 -0.847253 -2.014968
H 4.417423 -1.800401 -0.588949
H 3.345638 1.626827 1.184373
H 3.891493 0.695890 2.641237
H 6.005381 0.097818 -0.838309
H 4.630616 1.272411 -0.909069
H -0.591590 -2.170577 -1.289674
H -3.488981 0.319190 0.768807
H -3.919895 -1.680859 -1.385326
H -2.800690 -2.993391 -0.963180
H -3.585465 -2.791135 1.505468
H 0.392222 2.610290 0.894288
H -2.815539 3.707905 2.215170
H -3.312810 1.997546 2.512746
H -3.634424 2.768892 0.907111
H -6.043793 -2.534244 1.584843
H -6.050094 -1.873400 -0.162609


