%chk=000213609.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213609

1 1
O 4.036165 -1.478553 1.284499
O -0.055536 2.958601 -1.135484
O 1.895812 2.197047 -2.031276
N 1.804822 -0.648721 -0.255608
N -1.038872 0.979457 -0.643149
N -1.104748 2.384114 -0.394799
C 1.661247 -1.723741 0.779519
C 3.186214 -0.626839 -0.840771
C 0.748909 -0.725522 -1.302569
C 2.724358 -1.483319 1.869740
C 4.195038 -0.435527 0.306958
C 0.122720 0.636158 -1.176262
C 0.869342 1.910852 -1.526712
C -2.107577 0.134327 -0.130985
C -2.766258 -0.727127 -1.025712
C -2.450076 0.210416 1.227506
C -3.792011 -1.532486 -0.530616
C -3.481676 -0.607974 1.696702
C -4.149552 -1.474221 0.824427
H 1.795691 -2.744149 0.354701
H 0.646332 -1.672422 1.224134
H 3.266162 0.222551 -1.555314
H 3.429339 -1.560292 -1.395851
H 1.135362 -0.872408 -2.341958
H 0.003961 -1.538372 -1.136242
H 2.555254 -0.536685 2.412659
H 2.781500 -2.328470 2.582615
H 5.238807 -0.582256 -0.033115
H 4.089372 0.549819 0.794276
H -1.982818 2.847002 -0.725434
H -2.501014 -0.766330 -2.083428
H -1.925868 0.887211 1.909887
H -4.324568 -2.211343 -1.206016
H -3.767225 -0.566559 2.754133
H -4.959708 -2.110239 1.200648


%chk=000213609-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213609

1 1
O 3.917349 -1.063976 1.357580
O 0.363189 2.792510 -0.459978
O 2.049572 1.997064 -1.924433
N 1.817975 -0.986499 -0.575893
N -0.877759 0.837632 -0.376634
N -0.753009 2.153037 0.242144
C 1.580771 -1.597465 0.752077
C 3.231101 -0.921433 -1.019813
C 0.719414 -0.827435 -1.515975
C 2.525137 -0.971942 1.803232
C 4.110122 -0.324843 0.101521
C 0.195590 0.547854 -1.136598
C 1.022450 1.760558 -1.289782
C -2.016735 0.041546 -0.009936
C -2.637292 -0.765340 -0.998069
C -2.504186 0.107258 1.320533
C -3.758113 -1.537469 -0.630877
C -3.635150 -0.662311 1.660892
C -4.258022 -1.487213 0.692826
H 1.781025 -2.688706 0.689942
H 0.524875 -1.458875 1.048748
H 3.305286 -0.302092 -1.929486
H 3.584952 -1.948959 -1.252353
H 1.075633 -0.827077 -2.559364
H -0.052011 -1.610432 -1.409983
H 2.247307 0.089898 1.982516
H 2.474551 -1.530216 2.751052
H 5.176949 -0.428672 -0.147536
H 3.868605 0.748185 0.248226
H -1.603084 2.722067 0.036537
H -2.288119 -0.749938 -2.036074
H -1.997684 0.726059 2.068300
H -4.253856 -2.159673 -1.381878
H -4.023543 -0.626719 2.683002
H -5.134391 -2.082383 0.966638


