%chk=000233004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233004

0 1
O 2.582478 0.000971 -0.724292
O -3.477168 -0.000574 -0.603580
O -2.783498 -0.002200 1.583210
N -1.264882 0.000630 -0.187890
C -0.034863 0.000457 0.656491
C 0.757158 -1.249680 0.355650
C 0.756973 1.250846 0.356244
C 1.984692 -1.190331 -0.317423
C 1.984526 1.191982 -0.316845
C 0.277026 -2.515326 0.728973
C 0.276663 2.516253 0.730152
C 2.732188 -2.334744 -0.639578
C 2.731868 2.336656 -0.638443
C 1.002814 -3.666519 0.423320
C 1.002297 3.667690 0.425057
C 2.224093 -3.575218 -0.262592
C 2.223601 3.576881 -0.260876
C -2.520121 -0.000843 0.394495
C -4.873610 -0.001989 -0.131539
C -5.675711 -0.001384 -1.414054
H -0.349312 0.000151 1.743071
H -1.158382 0.001472 -1.199229
H -0.675300 -2.591183 1.258469
H -0.675686 2.591735 1.259652
H 3.678621 -2.234168 -1.166299
H 3.678323 2.236457 -1.165198
H 0.620932 -4.642541 0.717050
H 0.620275 4.643522 0.719239
H 2.781318 -4.482172 -0.499484
H 2.780707 4.484024 -0.497328
H -5.018008 -0.906939 0.483369
H -5.019280 0.901634 0.485018
H -6.752760 -0.002319 -1.208209
H -5.448149 0.880345 -2.029451
H -5.446926 -0.881678 -2.031049


%chk=000233004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233004

0 1
O 2.708140 0.000936 -0.641834
O -3.505535 -0.000069 -0.635338
O -2.747307 -0.002457 1.600622
N -1.269448 0.001922 -0.229148
C -0.020730 0.001255 0.571981
C 0.795889 -1.262661 0.312730
C 0.796484 1.264908 0.313457
C 2.076168 -1.212558 -0.287667
C 2.076760 1.214510 -0.286941
C 0.272842 -2.535617 0.650223
C 0.274050 2.537936 0.651630
C 2.813108 -2.384811 -0.567566
C 2.814285 2.386570 -0.566125
C 0.994093 -3.716893 0.387594
C 0.995889 3.719009 0.389711
C 2.268310 -3.638184 -0.229844
C 2.270098 3.640018 -0.227707
C -2.513475 0.000419 0.360652
C -4.908981 -0.003391 -0.132910
C -5.810533 -0.002961 -1.363608
H -0.379923 0.000972 1.619071
H -1.213066 0.003112 -1.249071
H -0.717077 -2.586841 1.119082
H -0.715886 2.589386 1.120423
H 3.796880 -2.290958 -1.036743
H 3.798027 2.292501 -1.035320
H 0.572250 -4.689961 0.658760
H 0.574505 4.692131 0.661400
H 2.835944 -4.550536 -0.441857
H 2.838193 4.552210 -0.439173
H -5.055892 -0.899578 0.496832
H -5.059055 0.890174 0.499801
H -6.870603 -0.005387 -1.050536
H -5.632363 0.893445 -1.981746
H -5.629145 -0.896654 -1.984733


