%chk=000118087.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118087

0 1
O 0.095323 4.584380 0.064617
O -1.018849 3.764693 -1.699740
O 3.793402 -2.394805 -2.051935
O -0.844670 0.782388 1.989970
O 3.716496 -3.154852 0.572299
N -0.926952 1.253738 -0.238395
C 0.173118 2.226190 -0.150114
C 1.415372 1.808466 -0.960006
C 1.998455 0.483308 -0.548646
C 2.600642 -0.314975 -1.541606
C 1.986476 0.051557 0.783048
C -0.345706 3.552395 -0.721635
C -1.352340 0.555665 0.906087
C 3.176217 -1.527151 -1.173691
C 2.563416 -1.168567 1.152715
C -2.440577 -0.437113 0.653438
C 3.162870 -1.964845 0.175407
C -2.241019 -1.764657 1.056082
C -3.648369 -0.046457 0.060508
C -3.252204 -2.707152 0.849548
C -4.656593 -0.993619 -0.137822
C -4.457659 -2.322415 0.253178
H 0.451329 2.374798 0.940706
H 1.169832 1.798892 -2.044498
H 2.201900 2.589948 -0.840310
H -1.257840 1.013785 -1.170420
H 2.616919 0.009413 -2.577835
H 1.507062 0.657683 1.559284
H 2.552605 -1.505776 2.189536
H -1.303014 -2.055119 1.533640
H -3.807022 0.991087 -0.235199
H -0.215128 5.477255 -0.249638
H -3.101165 -3.740886 1.158716
H -5.599134 -0.695206 -0.595022
H -5.245623 -3.058774 0.095943
H 3.788297 -2.042899 -2.974621
H 4.122834 -3.630973 -0.205488


%chk=000118087-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118087

0 1
O 0.390558 4.552540 -0.081747
O -1.442016 3.688530 -1.220846
O 4.100617 -2.186217 -2.281397
O -0.875102 0.575163 2.078502
O 4.101358 -3.153703 0.243957
N -0.918623 1.139072 -0.177453
C 0.122177 2.153878 -0.050984
C 1.420359 1.837273 -0.862498
C 2.069288 0.493867 -0.546426
C 2.734223 -0.202985 -1.590501
C 2.092858 -0.057854 0.759013
C -0.426987 3.506118 -0.514514
C -1.402166 0.447882 0.926322
C 3.406378 -1.407918 -1.322333
C 2.767722 -1.270876 1.024091
C -2.565249 -0.473900 0.677887
C 3.431492 -1.952317 -0.011888
C -2.745641 -1.555201 1.577180
C -3.492543 -0.284815 -0.380671
C -3.819389 -2.452538 1.406011
C -4.572098 -1.180289 -0.546045
C -4.733518 -2.269941 0.341003
H 0.364918 2.221298 1.024763
H 1.184912 1.887015 -1.944602
H 2.130186 2.662810 -0.657257
H -1.351211 1.007063 -1.092432
H 2.724126 0.202291 -2.611915
H 1.561223 0.433786 1.580011
H 2.780316 -1.702362 2.029029
H -2.035239 -1.666291 2.402610
H -3.411182 0.580356 -1.050498
H 0.032429 5.419770 -0.415174
H -3.946751 -3.290407 2.099968
H -5.291393 -1.021828 -1.356967
H -5.570884 -2.964223 0.209357
H 4.063836 -1.782834 -3.180968
H 4.499717 -3.482816 -0.604488


