%chk=000291346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291346

0 1
O -4.727781 -0.094888 2.785508
O -2.650958 -0.643261 2.581256
N 2.876515 -0.989334 0.656669
N -1.351112 -0.053123 0.337724
N -3.717518 -0.267097 2.121898
N 1.578582 -0.769761 0.269865
N -0.745873 -1.130749 0.428890
C -2.691805 -0.017936 -0.183588
C -3.813801 -0.009741 0.672656
C 3.880126 -0.362264 -0.163051
C -2.865146 0.206898 -1.564778
C -5.094440 0.251828 0.139675
C -4.136373 0.453553 -2.073122
C -5.253015 0.480614 -1.220900
C 5.153057 -0.167892 0.410699
C 3.646863 -0.039429 -1.512776
C 6.185824 0.338205 -0.380830
C 4.692878 0.470831 -2.280872
C 5.962422 0.660526 -1.722578
C 0.581361 -1.128429 1.035532
C 0.571723 -1.656056 2.433343
H -1.995881 0.188373 -2.225842
H -5.957598 0.268656 0.817627
H -4.268681 0.626261 -3.143932
H -6.243875 0.679827 -1.629849
H 5.341978 -0.413089 1.451840
H 2.658365 -0.189760 -1.948041
H 3.089318 -1.020680 1.663925
H 7.173382 0.484914 0.055925
H 4.517962 0.722324 -3.326853
H 6.771401 1.057125 -2.330763
H 1.191935 -1.046917 3.104825
H -0.445146 -1.659539 2.873816
H 0.930311 -2.696490 2.468701


%chk=000291346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291346

0 1
O -3.387536 3.119371 1.089026
O -2.108718 1.545581 2.146104
N 2.686635 -1.052835 0.620368
N -1.306865 -0.370427 0.492321
N -2.936342 1.910036 1.223165
N 1.357879 -0.853203 0.444101
N -0.878766 -1.580925 0.764015
C -2.642637 -0.289553 0.028573
C -3.410088 0.891448 0.269519
C 3.635008 -0.198093 0.006629
C -3.201309 -1.274194 -0.837648
C -4.656446 1.105378 -0.355042
C -4.456721 -1.077440 -1.439908
C -5.184719 0.118282 -1.210438
C 5.015194 -0.461743 0.208511
C 3.220702 0.901988 -0.788271
C 5.979652 0.376842 -0.387598
C 4.198021 1.728750 -1.376365
C 5.578368 1.475190 -1.183668
C 0.507073 -1.734151 0.976698
C 0.903485 -2.972011 1.751014
H -2.611214 -2.176020 -1.029555
H -5.193831 2.034156 -0.145481
H -4.870714 -1.850392 -2.096478
H -6.156625 0.274340 -1.688742
H 5.331518 -1.313090 0.825228
H 2.152035 1.087661 -0.920752
H 3.041825 -1.817636 1.212490
H 7.044022 0.171442 -0.229847
H 3.879935 2.580362 -1.987698
H 6.329216 2.124939 -1.645005
H 1.381743 -2.715544 2.717681
H -0.000355 -3.560109 1.967692
H 1.605576 -3.614900 1.181960


