%chk=000202105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202105

0 1
O 3.926917 0.171146 -0.417896
O -3.136655 1.638312 -1.428457
N -1.761754 2.478524 0.152530
C -1.748349 0.000560 -0.248634
C -2.224286 -0.954122 -1.374213
C -2.374970 -0.405119 1.107768
C -0.228481 0.024125 -0.216328
C -2.281945 1.419778 -0.584811
C 0.511536 -0.618036 0.780287
C 0.463128 0.679830 -1.260636
C -1.790050 -2.372379 -1.161595
C -3.865365 -0.232397 1.174467
C 1.911557 -0.597295 0.774841
C 1.847785 0.717172 -1.291299
C 2.571230 0.072611 -0.261134
C 4.825657 -0.394815 0.604034
C -2.617859 -3.413031 -1.229130
C -4.552293 -0.340376 2.310142
C 4.895259 0.573891 1.774230
C 6.132405 -0.516612 -0.165192
H -3.329906 -0.874325 -1.471581
H -1.837192 -0.598683 -2.354496
H -2.138487 -1.475886 1.304145
H -1.896407 0.167761 1.928720
H 0.010446 -1.158968 1.584128
H -0.099843 1.167102 -2.060576
H -0.722832 -2.499183 -0.963496
H -4.363264 -0.018055 0.223427
H 2.460979 -1.106044 1.559975
H 2.391131 1.221347 -2.087858
H -1.021457 2.370065 0.821386
H -2.085886 3.416926 -0.021330
H 4.430285 -1.388808 0.905671
H -2.295052 -4.435177 -1.099159
H -3.677520 -3.328703 -1.421623
H -5.625341 -0.224646 2.360263
H -4.108169 -0.550998 3.270697
H 5.632791 0.255531 2.519043
H 3.927391 0.674603 2.280215
H 5.178783 1.581192 1.438468
H 6.943270 -0.880934 0.474008
H 6.029185 -1.203485 -1.015909
H 6.440830 0.451901 -0.583691


%chk=000202105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202105

0 1
O 3.989552 0.228664 -0.448508
O -3.404204 1.605233 -1.218113
N -1.833701 2.409699 0.279039
C -1.805373 -0.028211 -0.231705
C -2.268026 -0.935555 -1.428686
C -2.397005 -0.566285 1.123088
C -0.263034 0.035437 -0.197235
C -2.412948 1.394079 -0.459334
C 0.525137 -0.563934 0.813675
C 0.428040 0.687915 -1.260658
C -1.818589 -2.374940 -1.311685
C -3.905542 -0.508755 1.227970
C 1.939925 -0.520235 0.785173
C 1.829445 0.741198 -1.308022
C 2.601446 0.132707 -0.283360
C 4.895634 -0.364262 0.577821
C -2.639923 -3.453487 -1.376889
C -4.580843 0.064987 2.254319
C 4.985345 0.560479 1.805032
C 6.238637 -0.540921 -0.137385
H -3.364213 -0.867363 -1.527733
H -1.853765 -0.497415 -2.358566
H -2.077041 -1.624753 1.217569
H -1.955011 -0.006635 1.969446
H 0.047339 -1.085063 1.648700
H -0.146120 1.167597 -2.062998
H -0.735835 -2.535382 -1.191531
H -4.474389 -0.989156 0.419771
H 2.500666 -0.999567 1.592946
H 2.352917 1.242382 -2.128031
H -0.978967 2.257652 0.812952
H -2.233957 3.345322 0.217047
H 4.494055 -1.358146 0.865906
H -2.251765 -4.476820 -1.315547
H -3.724745 -3.344124 -1.503204
H -5.675654 0.061211 2.294417
H -4.057821 0.563226 3.080845
H 5.655290 0.120096 2.566203
H 3.997882 0.725811 2.269130
H 5.394927 1.541767 1.507231
H 6.979135 -0.995781 0.544960
H 6.125535 -1.191624 -1.020882
H 6.624766 0.437252 -0.473766


