%chk=000225059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225059

0 1
O 0.425593 -1.004298 0.000214
O -2.438545 2.710377 -0.000607
O -4.265076 -1.536359 -0.000358
N -1.968820 -1.425594 0.000110
N -3.336323 0.597845 -0.000236
N 0.369401 1.312366 -0.000103
C -0.881412 -0.593828 0.000083
C -0.943959 0.813225 -0.000052
C -2.200227 1.530347 -0.000133
C -3.292133 -0.812196 -0.000006
C 1.173218 0.272851 0.000091
C -1.828751 -2.899445 0.000238
C 2.617607 0.118088 0.000172
C -4.709522 1.179660 -0.000198
C 3.202726 -1.160036 -0.000248
C 3.427294 1.268314 0.000665
C 4.593095 -1.282687 -0.000161
C 4.817132 1.132074 0.000743
C 5.400336 -0.139313 0.000336
H -1.286094 -3.238716 0.899959
H -1.285466 -3.238815 -0.899065
H -2.834553 -3.369666 -0.000087
H -5.269487 0.851840 -0.892799
H -4.647886 2.285502 -0.006354
H -5.265154 0.861700 0.898633
H 2.569598 -2.048222 -0.000646
H 2.967095 2.260068 0.000968
H 5.050188 -2.271598 -0.000483
H 5.447183 2.021522 0.001124
H 6.485444 -0.240006 0.000400


%chk=000225059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225059

0 1
O 0.385569 -1.060614 -0.000137
O -2.376433 2.755628 -0.000501
O -4.355050 -1.528754 0.000887
N -2.009102 -1.430813 -0.000338
N -3.337423 0.587235 -0.000560
N 0.385451 1.265177 -0.000341
C -0.921637 -0.605878 -0.000412
C -0.940047 0.788230 -0.000687
C -2.197488 1.510518 -0.001088
C -3.309830 -0.821740 -0.000425
C 1.170639 0.201288 -0.000187
C -1.891603 -2.902611 0.000143
C 2.619384 0.078528 0.000064
C -4.692718 1.190134 0.000120
C 3.258284 -1.191993 0.000060
C 3.405994 1.265606 0.000323
C 4.665676 -1.269728 0.000308
C 4.810866 1.175914 0.000567
C 5.446868 -0.089837 0.000561
H -1.352440 -3.243789 0.899871
H -1.352001 -3.244300 -0.899125
H -2.913802 -3.308563 0.000016
H -5.252464 0.864186 -0.891601
H -4.563373 2.281909 -0.003411
H -5.249252 0.870189 0.896089
H 2.652009 -2.103129 -0.000138
H 2.899449 2.236125 0.000326
H 5.154656 -2.249953 0.000298
H 5.411970 2.091470 0.000766
H 6.540351 -0.155434 0.000752


