%chk=000287701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287701

0 1
O 2.682061 1.520414 0.703760
O 3.261285 1.276089 -2.556785
O 4.095254 -1.426526 -0.868022
O 3.530122 -1.845121 1.776309
O -3.005537 3.382011 0.366542
N 0.591154 1.270520 -0.363796
N 0.086334 -0.005154 -0.369552
N -2.178691 -0.950277 0.074331
N -3.920381 1.381422 0.880461
N -1.952008 -2.033310 -0.573903
N -2.686415 -3.100140 -0.282373
C 2.743975 0.497561 -1.476091
C 3.905648 -0.054635 -0.594439
C 2.031912 1.543562 -0.579611
C 3.493835 0.321785 0.851007
C 2.641375 -0.722171 1.585131
C -0.390114 2.207572 -0.055684
C -1.586591 1.500726 0.129956
C -1.251498 0.110758 -0.078630
C -2.858114 2.167158 0.447123
C -2.670893 -4.151431 -1.333838
C -3.877432 -3.083898 0.606127
H 2.092211 -0.316642 -1.862259
H 4.870958 0.424334 -0.887669
H 2.158253 2.595890 -0.947063
H 4.350913 0.658173 1.473445
H 1.765823 -1.053628 0.992345
H 2.302516 -0.337297 2.563152
H 3.629549 0.682811 -3.250580
H 3.810092 -2.009246 -0.109117
H -0.223484 3.273881 0.010859
H 3.081840 -2.537719 2.303762
H -3.870035 0.377926 0.947710
H -4.804780 1.816950 1.085337
H -2.631849 -5.141203 -0.846668
H -1.772807 -4.057946 -1.975462
H -3.560234 -4.101270 -1.984056
H -4.736063 -2.566012 0.147142
H -3.633242 -2.557061 1.548768
H -4.174442 -4.112160 0.862033


%chk=000287701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287701

0 1
O 2.622893 1.218139 1.061791
O 2.932771 1.580955 -2.459039
O 4.475994 -1.007856 -1.273025
O 3.730404 -2.353390 0.919422
O -3.110443 3.516916 0.452580
N 0.526728 1.330262 -0.149685
N 0.019474 0.028673 -0.188933
N -2.300184 -0.824802 0.021015
N -4.067897 1.383678 0.390726
N -1.820931 -2.049365 -0.100154
N -2.782459 -3.004529 -0.073197
C 2.669248 0.708273 -1.318442
C 3.957886 0.188184 -0.629153
C 1.969724 1.553079 -0.232155
C 3.524531 0.051915 0.854331
C 2.765105 -1.249897 1.181765
C -0.454109 2.277427 0.051356
C -1.674250 1.596414 0.138725
C -1.329362 0.200516 -0.011265
C -2.994610 2.254368 0.339359
C -2.313562 -4.387667 -0.205698
C -4.213919 -2.691942 0.074726
H 2.037279 -0.152782 -1.608598
H 4.728494 0.979182 -0.709035
H 2.126105 2.629280 -0.414285
H 4.367104 0.181634 1.552625
H 1.860300 -1.348824 0.552693
H 2.471172 -1.239775 2.247918
H 3.391728 1.046368 -3.155428
H 4.332416 -1.783788 -0.651024
H -0.253882 3.343840 0.115042
H 3.328580 -3.223866 1.156006
H -3.892650 0.373404 0.289714
H -5.000300 1.770528 0.525430
H -2.575065 -4.983310 0.689144
H -1.219570 -4.361361 -0.317683
H -2.757400 -4.872277 -1.095367
H -4.552774 -2.031895 -0.745489
H -4.400444 -2.165388 1.029510
H -4.783622 -3.633625 0.053478


