%chk=000277987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277987

0 1
O 4.222794 0.955342 -1.274174
O 4.424327 -1.634252 1.754425
N -0.211140 0.151658 -0.200510
N -0.195135 -1.049348 -0.903736
N -1.371719 -1.555261 -0.992245
N -2.076906 1.452693 0.897939
N -4.240070 0.330588 0.625325
N -4.506812 -1.716037 -0.528324
C 2.969315 -0.514425 0.150164
C 0.998350 0.972279 0.097134
C 1.952708 0.217456 1.047372
C 2.973859 0.242014 -1.203238
C 1.804006 1.247900 -1.186231
C 4.372200 -0.597880 0.764942
C -1.529377 0.412293 0.191515
C -2.281452 -0.705949 -0.330691
C -3.687216 -0.716159 -0.086335
C -3.421863 1.337888 1.069246
H 2.604566 -1.558175 -0.032973
H 0.625864 1.923698 0.562693
H 2.456379 0.946174 1.710618
H 1.417290 -0.484750 1.708991
H 2.918840 -0.454282 -2.064385
H 1.184779 1.173192 -2.096432
H 2.199397 2.282606 -1.164806
H 4.700846 0.358849 1.205182
H 5.124591 -0.926660 0.020106
H 4.365638 1.315719 -2.168247
H 3.833307 -1.428067 2.502340
H -3.922675 2.146733 1.631910
H -4.131893 -2.497179 -1.045239
H -5.497401 -1.695358 -0.334938


%chk=000277987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277987

0 1
O 3.604092 1.884905 -0.400958
O 4.695701 -1.637895 1.703620
N -0.314818 -0.154249 -0.258777
N -0.467480 -1.441859 -0.846949
N -1.780726 -1.752183 -0.830002
N -1.856027 1.527191 0.726343
N -4.193268 0.742135 0.646042
N -4.826069 -1.343198 -0.258467
C 3.315227 -0.500459 -0.032816
C 1.011795 0.466464 -0.111159
C 1.994516 -0.363404 0.785695
C 3.228642 0.627078 -1.087839
C 1.739101 0.640187 -1.476146
C 4.595564 -0.462913 0.817805
C -1.544375 0.337098 0.126750
C -2.464795 -0.682948 -0.240917
C -3.845834 -0.442045 0.044407
C -3.199035 1.639569 0.945617
H 3.301571 -1.462114 -0.581979
H 0.815817 1.450374 0.347869
H 2.174521 0.180207 1.731311
H 1.560723 -1.347498 1.027494
H 3.899341 0.452306 -1.953135
H 1.516031 -0.226908 -2.124179
H 1.433322 1.560402 -2.005750
H 4.643919 0.483265 1.390933
H 5.490579 -0.529116 0.176505
H 3.471269 2.642705 -1.024205
H 3.991495 -1.577078 2.397418
H -3.532123 2.565410 1.424111
H -4.591925 -2.228796 -0.702861
H -5.791350 -1.113332 -0.028383


