%chk=000197324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197324

0 1
O 5.828694 0.432511 -0.000251
O 4.497568 2.124605 -0.000020
N 4.708338 0.922054 0.000111
N -2.627919 3.950860 0.000110
C -0.194365 -0.276745 -0.000019
C 1.207956 -0.633365 0.000037
C -1.183026 -1.276663 0.000004
C -0.576162 1.114311 -0.000089
C 2.222743 0.381968 0.000022
C 1.573651 -2.003771 0.000116
C -2.578230 -0.915927 -0.000041
C -2.949621 0.453514 -0.000095
C -1.921189 1.458401 -0.000116
C -0.772384 -2.661553 0.000077
C 0.484167 2.115072 -0.000135
C 1.789050 1.772607 -0.000085
C 0.540988 -3.011384 0.000134
C 3.567953 -0.019917 0.000099
C 2.943037 -2.367769 0.000177
C -3.612272 -1.905542 -0.000034
C 3.918273 -1.395035 0.000170
C -4.338297 0.802722 -0.000137
C -4.936827 -1.545968 -0.000085
C -5.305358 -0.171000 -0.000135
C -2.311335 2.838319 -0.000185
H -1.553487 -3.428061 0.000083
H 0.189161 3.169530 -0.000218
H 2.565529 2.553665 -0.000125
H 0.846277 -4.059081 0.000196
H 3.218632 -3.423201 0.000230
H -3.328022 -2.960044 0.000013
H 4.982550 -1.669179 0.000221
H -4.622055 1.857084 -0.000169
H -5.722225 -2.301937 -0.000090
H -6.363593 0.092118 -0.000172


%chk=000197324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197324

0 1
O 5.952905 0.392623 0.001663
O 4.571682 2.189631 -0.000558
N 4.765218 0.909864 -0.000167
N -2.648582 4.002080 -0.000502
C -0.185836 -0.281870 -0.000053
C 1.217767 -0.626559 -0.000057
C -1.195129 -1.305507 -0.000013
C -0.574539 1.113008 -0.000086
C 2.239812 0.407765 -0.000142
C 1.594013 -2.018096 0.000018
C -2.603886 -0.941147 -0.000016
C -2.981290 0.455323 -0.000052
C -1.950554 1.463103 -0.000080
C -0.772661 -2.680678 0.000039
C 0.459767 2.117100 -0.000116
C 1.801178 1.791050 -0.000167
C 0.569251 -3.023906 0.000058
C 3.607584 -0.023229 -0.000088
C 2.971992 -2.379291 0.000064
C -3.652278 -1.917400 0.000016
C 3.962169 -1.398627 0.000030
C -4.368901 0.817056 -0.000057
C -4.998071 -1.542382 0.000011
C -5.361939 -0.161746 -0.000025
C -2.327462 2.849092 -0.000104
H -1.518226 -3.479108 0.000071
H 0.164306 3.171601 -0.000111
H 2.554762 2.576350 -0.000262
H 0.869502 -4.077375 0.000109
H 3.248852 -3.438603 0.000120
H -3.409425 -2.982953 0.000043
H 5.022977 -1.656916 0.000094
H -4.640144 1.878013 -0.000084
H -5.778369 -2.310538 0.000035
H -6.418248 0.125472 -0.000029


