%chk=000287303.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287303

0 1
O 0.022113 -3.203351 -1.058328
O 2.246994 -2.790302 -0.626881
O 0.260984 -1.647889 1.714019
O 1.256954 0.812337 2.294006
O 2.708237 1.526809 -1.061647
O 3.222923 3.671174 -0.537629
N -1.377455 -0.300312 0.703839
N 3.254657 0.471001 1.224614
N -2.229402 1.623867 1.639458
N -2.375315 -0.058482 -1.595059
N -3.753501 1.954527 -1.810582
N -4.061014 3.500928 -0.046238
C 0.084971 -1.826100 -0.678555
C 1.572302 -1.573243 -0.308687
C -0.700990 -1.615992 0.642262
C 1.589616 -1.350607 1.223934
C 1.277905 -3.880050 -0.754580
C 1.957394 0.082864 1.626780
C 1.157913 -4.633621 0.551868
C 1.662278 -4.690329 -1.970177
C -2.142197 0.319022 -0.294129
C -1.465148 0.556533 1.864159
C -2.671257 1.512880 0.307217
C 3.539725 1.911922 1.131145
C -3.504567 2.337805 -0.505131
C -3.186380 0.797813 -2.274051
C 3.150241 2.514634 -0.210392
C 2.159035 1.935211 -2.361504
C 0.685024 2.226572 -2.195417
H -0.313441 -1.267470 -1.554108
H 2.080266 -0.782532 -0.899409
H -1.415378 -2.442339 0.882540
H 2.237933 -2.092307 1.750991
H 0.497737 -5.505013 0.448963
H 0.733356 -4.004915 1.349456
H 2.135629 -4.989876 0.899557
H 0.769568 -5.129843 -2.440557
H 2.357899 -5.501783 -1.727806
H 2.144775 -4.056352 -2.729665
H -0.905081 0.318257 2.768051
H 3.765998 -0.098895 0.547227
H 4.625546 2.095199 1.318057
H 2.983547 2.465058 1.940045
H -3.415857 0.537467 -3.321989
H -4.657595 4.057068 -0.637658
H -3.904513 3.797048 0.905826
H 2.367063 1.038467 -2.972058
H 2.731120 2.805279 -2.732868
H 0.202406 2.420158 -3.162334
H 0.148366 1.393351 -1.721647
H 0.514816 3.112750 -1.565627


%chk=000287303-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287303

0 1
O -0.270173 -3.721711 -0.653268
O 1.875942 -2.761793 -0.849824
O 0.174814 -1.883757 1.896842
O 0.523590 0.911920 2.034732
O 3.009649 1.861473 -1.670378
O 2.975186 4.083002 -0.943994
N -1.926358 -0.900994 1.108424
N 2.435487 0.828444 0.703496
N -3.523056 0.448433 2.068858
N -1.203784 0.617208 -0.744368
N -2.445027 2.739840 -0.731746
N -4.104105 3.241089 0.875658
C -0.443362 -2.285165 -0.397360
C 0.997232 -1.682015 -0.383946
C -1.004828 -2.041783 1.026206
C 1.255823 -1.275789 1.105233
C 1.184624 -4.063605 -0.639890
C 1.342275 0.255357 1.333802
C 1.568838 -4.693389 0.707452
C 1.479569 -4.949814 -1.846618
C -1.952927 0.279954 0.347499
C -2.879472 -0.725496 2.131665
C -2.951081 1.087234 0.951674
C 2.630929 2.275906 0.684642
C -3.180196 2.368171 0.371087
C -1.519179 1.860911 -1.216589
C 2.870824 2.860841 -0.706180
C 3.226331 2.317070 -3.082728
C 1.886395 2.600090 -3.765473
H -1.084484 -1.866301 -1.185185
H 1.108303 -0.838454 -1.079790
H -1.533906 -2.932170 1.401173
H 2.197387 -1.739794 1.450418
H 1.043224 -5.656536 0.829111
H 1.287097 -4.035522 1.546327
H 2.656594 -4.880268 0.738066
H 0.919445 -5.896646 -1.765185
H 2.557979 -5.178517 -1.894788
H 1.179078 -4.433249 -2.771846
H -3.042818 -1.487724 2.890989
H 3.012880 0.268839 0.071814
H 3.485273 2.586741 1.318964
H 1.729796 2.744223 1.121006
H -0.960199 2.199040 -2.094942
H -4.217585 4.151135 0.434239
H -4.638174 2.988456 1.704550
H 3.761297 1.473024 -3.545844
H 3.868610 3.214966 -3.062548
H 2.058934 2.854798 -4.827471
H 1.228993 1.714087 -3.726560
H 1.374516 3.452635 -3.288104


