%chk=000232067.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232067

0 1
O -3.117234 1.623795 -0.000058
O 3.117229 1.623809 0.000032
O -3.680265 -0.594239 -0.001010
O 3.680269 -0.594223 0.000518
N -1.436535 0.156356 -0.000183
N 1.436536 0.156363 0.000281
C -0.714786 -1.082881 -0.000140
C 0.714792 -1.082878 0.000113
C -1.399024 -2.308087 -0.000351
C 1.399036 -2.308081 0.000215
C -0.697647 -3.514683 -0.000273
C 0.697664 -3.514679 0.000026
C -2.830617 0.269466 -0.000551
C 2.830617 0.269478 0.000365
C -4.554280 1.962279 -0.000326
C 4.554275 1.962298 0.000076
C -4.554989 3.474167 0.000364
C 4.554978 3.474185 -0.000359
H -2.496893 -2.325315 -0.000583
H 2.496904 -2.325303 0.000435
H -0.906604 1.030095 0.000325
H 0.906601 1.030099 0.000026
H -1.247834 -4.455211 -0.000444
H 1.247855 -4.455205 0.000108
H -5.001376 1.515364 0.904491
H -5.000838 1.516189 -0.905814
H 5.001194 1.515536 -0.904903
H 5.001011 1.516057 0.905402
H -4.038022 3.877505 0.882466
H -5.578789 3.869033 0.000261
H -4.037533 3.878310 -0.881082
H 4.037662 3.878178 0.881238
H 4.037867 3.877670 -0.882310
H 5.578776 3.869055 -0.000353


%chk=000232067-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232067

0 1
O -3.012677 1.644713 0.000171
O 3.012673 1.644725 -0.000245
O -3.717735 -0.604313 -0.003004
O 3.717740 -0.604298 0.002590
N -1.424135 0.048357 -0.000115
N 1.424137 0.048363 0.000052
C -0.717811 -1.191649 -0.000267
C 0.717818 -1.191646 0.000154
C -1.412450 -2.427100 -0.000683
C 1.412462 -2.427094 0.000525
C -0.705553 -3.646196 -0.000450
C 0.705570 -3.646193 0.000243
C -2.799209 0.250039 -0.001362
C 2.799210 0.250051 0.001135
C -4.443040 2.068055 -0.000528
C 4.443033 2.068073 0.000363
C -4.448733 3.593306 0.001442
C 4.448721 3.593324 -0.001412
H -2.503975 -2.414187 -0.001136
H 2.503987 -2.414177 0.000966
H -0.912489 0.930459 0.001586
H 0.912487 0.930463 -0.001473
H -1.262820 -4.588629 -0.000748
H 1.262841 -4.588623 0.000502
H -4.933289 1.642611 0.893699
H -4.931721 1.644928 -0.896712
H 4.933193 1.642746 -0.893970
H 4.931809 1.644833 0.896442
H -3.941743 3.989157 0.897960
H -5.490866 3.961118 0.001003
H -3.940170 3.991477 -0.893155
H 3.940242 3.991378 0.893286
H 3.941643 3.989288 -0.897830
H 5.490852 3.961140 -0.001026


