%chk=000231841.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231841

0 1
O 4.984457 -0.429749 -0.000097
O -4.984545 0.429359 0.000102
O 3.762965 1.505559 -0.000144
O -3.763048 -1.505947 -0.000033
N 2.756606 -0.629595 0.000113
N -2.756696 0.629210 0.000348
C 1.367935 -0.280733 0.000162
C -1.368025 0.280351 0.000267
C 0.433016 -1.335792 0.000203
C -0.930250 -1.056245 0.000260
C 0.930160 1.055863 0.000157
C -0.433106 1.335410 0.000209
C 3.804997 0.293114 0.000067
C -3.805084 -0.293501 0.000219
C 6.218219 0.380149 -0.000479
C -6.218305 -0.380541 -0.000229
C 7.316029 -0.659366 -0.000487
C -7.316117 0.658972 -0.000367
H 0.762812 -2.373985 0.000190
H -1.656266 -1.878820 0.000286
H 1.656175 1.878438 0.000102
H -0.762902 2.373603 0.000204
H 2.996542 -1.624840 0.000190
H -2.996634 1.624455 0.000479
H 6.201850 1.011379 -0.905655
H 6.202189 1.011723 0.904464
H -6.201919 -1.011867 -0.905339
H -6.202291 -1.012020 0.904780
H 7.252010 -1.312819 -0.881944
H 7.252360 -1.312465 0.881257
H 8.306955 -0.188631 -0.000779
H -7.252094 1.312320 -0.881901
H -7.252453 1.312174 0.881301
H -8.307042 0.188236 -0.000608


%chk=000231841-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231841

0 1
O 5.041349 -0.470923 -0.000354
O -5.041437 0.470535 -0.000093
O 3.837091 1.557905 -0.000607
O -3.837179 -1.558294 -0.000411
N 2.785722 -0.571597 -0.000949
N -2.785810 0.571208 -0.000713
C 1.401130 -0.247517 -0.000884
C -1.401218 0.247128 -0.000771
C 0.471394 -1.319743 -0.000839
C -0.916186 -1.087102 -0.000783
C 0.916098 1.086713 -0.000874
C -0.471482 1.319355 -0.000818
C 3.861105 0.300482 -0.000975
C -3.861193 -0.300871 -0.000700
C 6.305334 0.319388 0.000287
C -6.305422 -0.319776 0.000543
C 7.450504 -0.687876 0.001023
C -7.450592 0.687488 0.001123
H 0.833946 -2.355826 -0.000850
H -1.621125 -1.920426 -0.000760
H 1.621037 1.920038 -0.000918
H -0.834034 2.355437 -0.000816
H 3.036090 -1.562685 -0.000916
H -3.036178 1.562296 -0.000646
H 6.313673 0.967655 -0.894795
H 6.312676 0.967828 0.895251
H -6.313710 -0.968126 -0.894478
H -6.312816 -0.968133 0.895568
H 7.411273 -1.331567 -0.894726
H 7.410283 -1.331380 0.896863
H 8.416458 -0.150904 0.001499
H -7.411317 1.331090 -0.894689
H -7.410415 1.331082 0.896901
H -8.416546 0.150517 0.001606


