%chk=000116579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116579

0 1
O -1.910490 -0.245780 0.207072
O -4.712695 -0.903412 -0.951876
N 2.275225 0.112374 0.509652
C 1.713053 -1.146507 -0.078008
C 1.534239 1.394730 0.282737
C 0.178441 -1.264800 0.134775
C 0.001530 1.237992 0.490776
C -0.555150 0.020342 -0.250086
C 2.051600 -1.209590 -1.577557
C 2.396627 -2.333519 0.637918
C 1.830580 1.914977 -1.134798
C 2.064739 2.419945 1.310837
C -2.923790 0.634140 -0.328407
C -4.240937 -0.030354 0.081527
H -0.049513 -1.504207 1.192280
H -0.225806 -2.116278 -0.441659
H -0.515133 2.158124 0.169993
H -0.229284 1.134574 1.568695
H -0.574171 0.178711 -1.348728
H 2.443855 -0.018448 1.513609
H 3.129093 -1.069720 -1.733516
H 1.768428 -2.170443 -2.014311
H 1.545622 -0.416258 -2.143940
H 3.487853 -2.273028 0.538817
H 2.164733 -2.368305 1.706321
H 2.083418 -3.288762 0.204988
H 2.914022 1.971030 -1.303008
H 1.427505 1.246213 -1.907227
H 1.411888 2.911159 -1.295182
H 1.850633 2.127204 2.342737
H 3.152344 2.535771 1.220192
H 1.618813 3.406416 1.151545
H -2.801813 1.632856 0.123378
H -2.826156 0.702542 -1.426287
H -5.062794 0.702139 0.183667
H -4.119311 -0.603504 1.021086
H -4.069700 -1.632725 -1.087111


%chk=000116579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116579

0 1
O -1.995053 -0.285421 0.195432
O -4.418729 -1.179866 -0.891242
N 2.281189 0.104816 0.438762
C 1.720174 -1.173284 -0.111758
C 1.520746 1.387218 0.285046
C 0.185342 -1.300336 0.169880
C -0.010684 1.190908 0.558799
C -0.587395 -0.024823 -0.191043
C 2.008392 -1.302684 -1.632915
C 2.462830 -2.322875 0.612923
C 1.749159 2.005835 -1.121841
C 2.099314 2.366885 1.335935
C -2.960725 0.715778 -0.291411
C -4.336000 0.064717 -0.123304
H 0.023873 -1.497437 1.248696
H -0.234274 -2.157275 -0.390401
H -0.550617 2.116274 0.278654
H -0.170438 1.023233 1.643355
H -0.562346 0.153181 -1.289530
H 2.522013 -0.030257 1.431714
H 3.069969 -1.074134 -1.828456
H 1.796739 -2.333922 -1.971987
H 1.393661 -0.621956 -2.245332
H 3.547187 -2.268476 0.408055
H 2.310263 -2.268747 1.708690
H 2.090417 -3.304171 0.269488
H 2.830302 2.031151 -1.341115
H 1.252277 1.437145 -1.925447
H 1.355220 3.039027 -1.151938
H 1.976061 1.970344 2.362828
H 3.176432 2.532050 1.153039
H 1.582897 3.341971 1.286976
H -2.894610 1.657722 0.292570
H -2.763978 0.935962 -1.363128
H -5.127831 0.723778 -0.517737
H -4.524318 -0.121965 0.955169
H -3.589963 -1.684767 -0.676525


