%chk=000276002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276002

0 1
O 3.530298 1.903834 0.000882
O 5.114841 0.136307 -0.000052
O -4.715938 -0.203024 0.001032
O -3.307989 1.603237 0.000137
N -1.209708 -0.317140 -0.000380
N -2.536069 -0.650866 0.000097
C 2.873397 0.679632 0.000326
C 3.827719 -0.382242 -0.000237
C 1.114031 -0.913786 -0.000379
C 1.518293 0.450261 0.000274
C 3.445373 -1.705049 -0.000868
C 4.962312 1.595536 0.000722
C 2.054627 -1.951789 -0.000918
C -0.318489 -1.272467 -0.000509
C -5.870094 0.716390 0.001344
C -7.059203 -0.217378 0.001894
C -3.472618 0.411226 0.000381
H 0.785925 1.260258 0.000662
H 4.166895 -2.516770 -0.001307
H 5.390315 1.977694 0.936678
H 5.390316 1.978683 -0.934828
H 1.721781 -2.989465 -0.001421
H -0.531200 -2.352284 -0.000067
H -5.795863 1.343836 0.906522
H -5.796537 1.343628 -0.904032
H -8.002282 0.343523 0.002156
H -7.056978 -0.873700 -0.879731
H -7.056348 -0.873467 0.883690
H -2.880308 -1.619517 0.000432


%chk=000276002-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276002

0 1
O 3.672596 1.909628 0.000509
O 5.215970 0.067855 -0.000280
O -4.763074 -0.256719 0.000998
O -3.391310 1.668074 0.001352
N -1.202646 -0.185048 0.000348
N -2.533547 -0.548884 0.000498
C 2.970604 0.678411 0.000159
C 3.883971 -0.404131 -0.000304
C 1.124441 -0.863357 -0.000191
C 1.594339 0.491641 0.000228
C 3.451410 -1.731636 -0.000720
C 5.114423 1.554940 0.000306
C 2.048040 -1.945313 -0.000649
C -0.311422 -1.156383 -0.000145
C -5.966802 0.622433 0.001454
C -7.183181 -0.298003 0.001357
C -3.530174 0.428759 0.001031
H 0.881106 1.319051 0.000579
H 4.160738 -2.562478 -0.001077
H 5.583043 1.943749 0.920603
H 5.582960 1.944468 -0.919727
H 1.668934 -2.973833 -0.000962
H -0.600372 -2.227468 -0.000416
H -5.927204 1.269575 0.896402
H -5.927480 1.270138 -0.893097
H -8.107628 0.307731 0.001703
H -7.190855 -0.942362 -0.894352
H -7.190561 -0.942935 0.896656
H -2.839819 -1.532804 0.000239


