%chk=000233374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233374

0 1
S 0.803496 1.761937 -0.146955
O 0.737841 2.384768 1.187709
O 0.841048 2.646164 -1.291815
N -0.573158 0.773463 -0.284869
N -1.835412 1.602722 1.571552
N 5.308379 -2.054965 -0.255217
C 2.111149 0.659064 -0.187224
C 2.337570 -0.133599 -1.321629
C 2.967734 0.550785 0.918483
C -2.785939 -0.120343 0.124375
C -1.646209 0.790226 0.459283
C 4.268841 -1.124841 -0.247939
C 3.405899 -1.020684 -1.367353
C 4.044468 -0.325279 0.901749
C -3.262745 -1.034827 1.074449
C -3.358023 -0.060305 -1.153688
C -4.327402 -1.877878 0.746351
C -4.425717 -0.904844 -1.472256
C -4.911322 -1.810315 -0.523767
H 1.667775 -0.053960 -2.185724
H 2.785355 1.170591 1.806816
H 3.569516 -1.633244 -2.248421
H 4.700199 -0.402720 1.763167
H -2.798618 -1.098237 2.057936
H -2.959453 0.635717 -1.895190
H -4.700286 -2.591330 1.479541
H -4.874570 -0.859187 -2.463678
H -5.742498 -2.467994 -0.775117
H -2.699116 1.611357 2.082474
H -1.090372 2.234789 1.897582
H 5.587471 -2.479721 -1.123215
H 6.030198 -1.997512 0.442794


%chk=000233374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233374

0 1
S 0.753594 1.706484 -0.080826
O 0.769979 2.368876 1.444428
O 0.746718 2.693473 -1.374074
N -0.670292 0.475891 -0.264325
N -1.866161 1.648303 1.506453
N 5.623119 -1.857562 -0.538153
C 2.235375 0.593823 -0.213833
C 2.804813 0.394699 -1.484262
C 2.762346 0.013435 0.953463
C -2.923736 -0.173304 0.231036
C -1.747998 0.714397 0.508765
C 4.500810 -1.043691 -0.430484
C 3.940473 -0.426060 -1.590567
C 3.898527 -0.806287 0.843395
C -3.831144 -0.526465 1.264498
C -3.125708 -0.675464 -1.080254
C -4.938330 -1.355930 0.982120
C -4.232711 -1.503813 -1.357515
C -5.144320 -1.843089 -0.329461
H 2.375620 0.890530 -2.360802
H 2.306238 0.221060 1.926593
H 4.401015 -0.592532 -2.571198
H 4.327894 -1.264262 1.741966
H -3.656703 -0.190353 2.293390
H -2.409127 -0.402591 -1.860616
H -5.631640 -1.630265 1.784699
H -4.387358 -1.882368 -2.373654
H -6.004834 -2.485436 -0.547006
H -2.773732 1.838044 1.925205
H -1.021484 2.188754 1.777296
H 6.062115 -2.024788 -1.438941
H 6.032739 -2.293710 0.282866


