%chk=000181740.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181740

0 1
O 0.200060 2.028791 0.181274
O 3.540178 -1.166910 -0.265894
O -3.119704 -1.130796 0.526182
N -0.898000 -0.877121 0.019951
N 1.325813 -1.105755 -1.060404
N 2.110734 0.670754 0.165790
N -2.518735 0.758741 -0.704094
C 0.134108 -0.251854 -0.813237
C 0.761729 0.997902 -0.088500
C 2.467022 -0.629068 -0.356680
C -0.501826 -1.862579 1.053828
C -2.259505 -0.438719 0.010420
C 3.082005 1.548576 0.845226
C -3.930923 1.216731 -0.701324
H -0.308954 0.054897 -1.806556
H 1.208369 -2.095527 -1.262024
H -1.373192 -2.095770 1.701942
H 0.307744 -1.475444 1.691832
H -0.188909 -2.812807 0.591248
H 3.003229 1.437046 1.941367
H 2.887069 2.604995 0.585301
H 4.112088 1.287292 0.538932
H -1.842414 1.529101 -0.602640
H -4.619849 0.351069 -0.749176
H -4.097838 1.836787 -1.598148
H -4.192797 1.800270 0.196183


%chk=000181740-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181740

0 1
O 0.163512 2.014301 0.408765
O 3.605440 -1.049431 -0.564411
O -3.245162 -1.280710 0.401452
N -0.939672 -0.899944 0.137285
N 1.255423 -1.089628 -0.954815
N 2.121356 0.694719 0.138529
N -2.499414 0.755419 -0.512913
C 0.092585 -0.244393 -0.674621
C 0.769017 0.976647 0.025342
C 2.453590 -0.569838 -0.480577
C -0.560834 -1.899657 1.151189
C -2.304467 -0.514395 0.031406
C 3.129541 1.562739 0.754321
C -3.862932 1.230288 -0.787127
H -0.396662 0.117716 -1.600445
H 1.222672 -1.960503 -1.480912
H -1.496144 -2.274090 1.594778
H 0.070721 -1.456767 1.946722
H -0.020851 -2.753098 0.705798
H 2.931231 1.682652 1.832737
H 3.117341 2.557909 0.279277
H 4.113338 1.089214 0.608006
H -1.771136 1.461961 -0.339698
H -4.510511 0.357092 -0.960761
H -3.866515 1.874389 -1.683884
H -4.283962 1.798010 0.065358


