%chk=000247258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247258

0 1
O -3.491156 3.043654 0.002360
O -1.334714 2.986373 0.002952
O -5.228838 -2.865160 -0.002658
O -6.163720 -0.913213 -0.000872
N 1.070376 -0.066588 0.000812
N -0.047817 0.750392 0.001274
N -2.440249 2.432200 0.002178
N -5.187449 -1.645247 -0.001473
C 4.243277 1.909390 0.001600
C 2.694277 1.923221 0.002178
C 4.622845 0.453946 0.000975
C 3.472125 -0.378041 0.000710
C 2.260032 0.465547 0.001216
C 5.893455 -0.104143 0.000658
C 3.589697 -1.763825 0.000109
C 6.009941 -1.504886 0.000056
C 4.877484 -2.322824 -0.000219
C -1.292967 0.161778 0.000613
C -2.474371 0.980567 0.001050
C -1.455805 -1.265758 -0.000549
C -3.748824 0.369132 0.000354
C -3.863449 -1.012139 -0.000756
C -2.698364 -1.837568 -0.001218
H 4.652034 2.432238 0.886712
H 4.651331 2.432709 -0.883580
H 2.302955 2.457027 -0.884710
H 2.303652 2.455517 0.890301
H 6.782613 0.521625 0.000869
H 2.702642 -2.397338 -0.000099
H 7.002558 -1.956838 -0.000196
H 4.991112 -3.406274 -0.000688
H 0.033476 1.796705 0.002237
H -0.554514 -1.889888 -0.000892
H -4.653277 1.005527 0.000706
H -2.829368 -2.928319 -0.002111


%chk=000247258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247258

0 1
O -3.398192 3.141732 0.002769
O -1.127208 2.954778 0.002611
O -5.403192 -2.807365 -0.003216
O -6.283310 -0.697219 -0.000147
N 1.083660 -0.251073 0.000201
N -0.011906 0.607246 0.001151
N -2.331778 2.419805 0.002453
N -5.283640 -1.517649 -0.001321
C 4.145264 1.931654 0.001054
C 2.585594 1.839574 0.002180
C 4.620987 0.484997 0.000939
C 3.521149 -0.416362 0.000558
C 2.268002 0.340791 0.000801
C 5.939079 -0.011844 0.000913
C 3.720490 -1.819238 0.000198
C 6.143700 -1.412573 0.000554
C 5.041844 -2.309845 0.000200
C -1.288802 0.099677 0.000484
C -2.448450 0.964144 0.001236
C -1.514789 -1.317215 -0.001019
C -3.755987 0.430726 0.000734
C -3.921543 -0.958416 -0.000706
C -2.803162 -1.841435 -0.001652
H 4.518637 2.477314 0.887017
H 4.517185 2.476743 -0.885883
H 2.146677 2.338279 -0.884179
H 2.148358 2.335877 0.890721
H 6.795914 0.670974 0.001139
H 2.860595 -2.495975 -0.000004
H 7.163936 -1.811966 0.000573
H 5.224661 -3.389686 -0.000019
H 0.053390 1.646292 0.002626
H -0.635346 -1.963641 -0.001626
H -4.619861 1.100232 0.001399
H -2.980953 -2.919832 -0.002840


