%chk=000228518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228518

0 1
O 3.101374 -0.127454 0.060873
O 0.723864 -3.577870 -0.251233
O 1.037874 3.585673 -0.134553
O 2.753339 -2.726342 0.334791
O 3.039064 2.529788 0.014866
N 1.520185 -2.587029 0.007365
N 1.716733 2.502775 -0.072690
C -2.695816 0.097264 -0.395323
C -3.343192 -0.705359 0.788239
C -1.159703 0.090110 -0.258089
C -3.075884 -0.611789 -1.732295
C -3.269155 1.536371 -0.430176
C -3.082159 -0.145303 2.202670
C -0.387577 1.261655 -0.207119
C -0.461045 -1.144334 -0.191126
C 0.935307 -1.219896 -0.070605
C 1.022780 1.211599 -0.100555
C 1.751131 -0.042256 -0.024667
H -4.434691 -0.744156 0.599974
H -2.991034 -1.755290 0.744953
H -2.720681 -1.658041 -1.758909
H -2.643498 -0.082766 -2.600974
H -4.174865 -0.628151 -1.850509
H -4.370256 1.489370 -0.505244
H -2.901633 2.099238 -1.308240
H -3.022392 2.114349 0.478119
H -3.539144 -0.801772 2.964892
H -3.514209 0.862655 2.334994
H -2.000511 -0.083268 2.422868
H -0.848217 2.250911 -0.251895
H -0.995824 -2.097788 -0.229926
H 3.464437 0.840106 0.064324


%chk=000228518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228518

0 1
O 3.092977 -0.103847 0.029459
O 0.881353 -3.530134 -0.524735
O 1.112679 3.587290 -0.147718
O 2.627258 -2.703553 0.691382
O 3.067643 2.425479 -0.027286
N 1.532333 -2.560175 0.035871
N 1.744551 2.474475 -0.094729
C -2.705537 0.097763 -0.392432
C -3.350593 -0.707218 0.790790
C -1.169075 0.093412 -0.257523
C -3.086023 -0.609127 -1.730451
C -3.281988 1.535794 -0.423525
C -3.069783 -0.161261 2.206960
C -0.397697 1.266671 -0.208577
C -0.467289 -1.142829 -0.191978
C 0.928271 -1.207222 -0.063519
C 1.013385 1.212625 -0.109760
C 1.737491 -0.029102 -0.029343
H -4.444249 -0.731086 0.612786
H -3.012081 -1.761188 0.735304
H -2.727617 -1.654172 -1.761373
H -2.656961 -0.076297 -2.598400
H -4.185214 -0.628608 -1.846561
H -4.383418 1.486469 -0.491784
H -2.920966 2.099609 -1.303627
H -3.030684 2.113910 0.483454
H -3.527136 -0.818020 2.968727
H -3.489071 0.850566 2.350530
H -1.985573 -0.112654 2.417329
H -0.857363 2.256234 -0.253330
H -1.002643 -2.095837 -0.239211
H 3.447619 0.865035 0.018072


