%chk=000225940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225940

0 1
O -0.796463 2.253874 -1.282968
O -1.328005 2.616620 0.862621
O 3.229772 2.154351 -0.792259
O 1.403319 -2.452947 -0.861712
O 3.646422 0.475334 0.632666
O -0.089140 -3.228368 0.613313
N 0.698610 0.174948 0.440110
C -0.753570 0.312664 0.074930
C -1.732282 -0.280813 1.101541
C -3.095225 -0.671947 0.485907
C -2.942471 -1.828355 -0.507836
C -3.801849 0.523852 -0.158404
C 1.582949 0.472046 -0.727858
C 1.068132 -1.105345 1.082000
C -0.994928 1.828320 0.019129
C 2.900665 0.970862 -0.177311
C 0.699963 -2.364643 0.318329
H -0.970229 -0.124351 -0.941407
H -1.309969 -1.182628 1.590820
H -1.890432 0.442246 1.932103
H -3.733670 -1.030893 1.336519
H -2.416129 -1.525769 -1.418713
H -2.383839 -2.666481 -0.066508
H -3.920282 -2.215619 -0.815431
H -3.842238 1.382758 0.523279
H -3.310463 0.854317 -1.079684
H -4.835245 0.272273 -0.424305
H 1.780639 -0.411670 -1.389731
H 1.124264 1.258187 -1.386098
H 2.178622 -1.094618 1.280249
H 0.586279 -1.144141 2.092936
H -0.921663 3.232844 -1.396973
H 4.095684 2.529523 -0.473766
H 1.196870 -3.281231 -1.375487


%chk=000225940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225940

0 1
O -0.617407 2.498006 -0.394026
O -0.855334 1.731816 1.790157
O 3.106761 1.454662 -1.963566
O 2.540839 -2.639596 0.621881
O 2.334079 1.909772 0.180501
O 0.762449 -3.186938 2.012610
N 0.586276 -0.466479 0.001693
C -0.788236 0.093328 -0.085745
C -1.846007 -0.838513 0.555403
C -3.296240 -0.670755 0.014067
C -3.422354 -1.102341 -1.467983
C -3.870912 0.751533 0.227722
C 1.547810 -0.130764 -1.038606
C 1.121661 -0.815987 1.334153
C -0.789484 1.488819 0.564856
C 2.327159 1.179809 -0.832921
C 1.412372 -2.314814 1.400134
H -1.003269 0.222058 -1.160697
H -1.517509 -1.878706 0.370740
H -1.851070 -0.683274 1.651463
H -3.914921 -1.371098 0.613522
H -2.881636 -0.412482 -2.144146
H -3.020062 -2.120537 -1.625744
H -4.481783 -1.101866 -1.784460
H -3.784179 1.068798 1.282743
H -3.345761 1.499046 -0.397443
H -4.939942 0.782588 -0.053954
H 2.302695 -0.937665 -1.119756
H 1.043249 -0.071337 -2.019303
H 2.039173 -0.243324 1.568407
H 0.379988 -0.577570 2.110504
H -0.470992 3.368539 0.067813
H 3.634002 2.285935 -1.812766
H 2.682683 -3.625462 0.642745


