%chk=000229011.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229011

0 1
O -0.083659 -1.984176 0.001947
O 2.910353 2.587488 0.001985
N -1.347998 0.775898 -0.000051
N -0.089683 2.680446 -0.000072
C -0.004985 0.385611 0.000784
C 0.747973 1.578137 0.000419
C -1.361134 2.193530 -0.000526
C 2.077160 -0.972801 0.000315
C 0.575303 -0.966634 0.001685
C 2.843849 0.210357 0.000105
C 2.229206 1.590151 0.000501
C -2.497641 -0.101182 0.000061
C 2.719112 -2.216110 -0.000412
C -2.601819 2.990054 -0.001510
C 4.239745 0.127769 -0.000817
C -3.045063 -0.511055 1.224857
C -3.046025 -0.510023 -1.224655
C 4.118081 -2.290408 -0.001379
C 4.877058 -1.120286 -0.001589
C -4.167310 -1.343455 1.213494
C -4.168266 -1.342425 -1.213119
C -4.728664 -1.756376 0.000234
H 2.116262 -3.130104 -0.000072
H -3.221353 2.790912 0.887049
H -2.369349 4.071889 -0.000117
H -3.218672 2.792718 -0.892339
H 4.830055 1.050685 -0.001028
H -2.595324 -0.197805 2.166728
H -2.597059 -0.195941 -2.166613
H 4.608368 -3.264074 -0.001940
H 5.966272 -1.171158 -0.002366
H -4.601436 -1.676634 2.156455
H -4.603145 -1.674795 -2.156017
H -5.601611 -2.408799 0.000302


%chk=000229011-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229011

0 1
O -0.092495 -2.045955 -0.000596
O 2.921642 2.652714 -0.001372
N -1.328104 0.751849 -0.000339
N -0.104081 2.678422 -0.001081
C 0.019298 0.368627 -0.000505
C 0.752365 1.576462 -0.000349
C -1.355271 2.160237 -0.000805
C 2.102991 -0.984666 -0.000305
C 0.597940 -0.975305 -0.000616
C 2.871253 0.221402 -0.000124
C 2.228607 1.591275 0.000103
C -2.496077 -0.108213 -0.000036
C 2.764353 -2.236019 -0.000291
C -2.621379 2.956185 -0.001000
C 4.283835 0.145545 -0.000012
C -3.065487 -0.506059 1.229139
C -3.067821 -0.503632 -1.228907
C 4.173593 -2.300298 -0.000152
C 4.935391 -1.106289 -0.000006
C -4.221715 -1.316707 1.225466
C -4.224065 -1.314266 -1.224640
C -4.802258 -1.721080 0.000562
H 2.150481 -3.142686 -0.000449
H -3.241642 2.738425 0.887372
H -2.358095 4.024020 0.000044
H -3.240346 2.739993 -0.890669
H 4.847259 1.084247 0.000138
H -2.598248 -0.197031 2.170088
H -2.602349 -0.192780 -2.170135
H 4.677509 -3.272703 -0.000172
H 6.029605 -1.153613 0.000115
H -4.663752 -1.635640 2.175286
H -4.667913 -1.631309 -2.174248
H -5.696422 -2.353747 0.000790


