%chk=000297824.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297824

0 1
O 1.483736 -1.279426 -0.893503
O -2.774699 -2.689643 -1.523596
O -3.462499 -4.312140 -0.136992
O 1.564147 -2.912875 0.716590
N -1.428291 1.151150 0.995077
N -0.331005 -2.596882 -0.643045
N -2.992668 -0.486247 1.007639
C -1.554921 -2.484356 1.583709
C -1.284338 -3.269084 0.276619
C -1.749074 -1.034715 1.336548
C -0.770236 2.444244 0.743419
C -0.767105 -0.034906 1.334086
C -2.784326 0.833218 0.790253
C -0.550481 2.680451 -0.734773
C -2.614915 -3.509158 -0.437812
C -0.984307 3.880037 -1.315797
C 0.102062 1.718255 -1.519008
C 0.950111 -2.324140 -0.148143
C -0.762168 4.115672 -2.675933
C 0.315548 1.957478 -2.878705
C 2.869797 -0.911320 -0.604790
C -0.113760 3.155789 -3.458988
C 2.890365 0.076111 0.528014
C 2.924400 1.453193 0.268054
C 2.869679 -0.384285 1.853511
C 2.942311 2.363472 1.329228
C 2.885198 0.528875 2.910159
C 2.923046 1.903108 2.649513
H -2.447046 -2.912236 2.099632
H -0.701192 -2.644726 2.280572
H -0.850710 -4.279730 0.542738
H 0.218074 2.466686 1.271648
H -1.385404 3.256944 1.197351
H 0.284341 -0.089522 1.551035
H -3.533907 1.555331 0.507965
H -0.754137 -1.888253 -1.264580
H -1.495252 4.631004 -0.716464
H 0.439451 0.775777 -1.074080
H -1.099230 5.048364 -3.126050
H 0.814307 1.204434 -3.488090
H 3.183660 -0.483472 -1.575668
H 3.453713 -1.826497 -0.385536
H 0.053696 3.339108 -4.518982
H -3.672780 -2.785474 -1.946318
H 2.934038 1.818827 -0.758850
H 2.831410 -1.461106 2.051927
H 2.979923 3.432414 1.124665
H 2.871641 0.168877 3.938418
H 2.943497 2.612872 3.475133


%chk=000297824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297824

0 1
O 1.872207 -1.889564 -0.747211
O -2.378407 -3.082122 -1.765698
O -3.511044 -4.273505 -0.120939
O 1.452923 -3.058030 1.267366
N -1.628381 1.128403 0.826756
N -0.175417 -2.819606 -0.404430
N -3.014643 -0.636824 0.506753
C -1.672229 -2.495796 1.612524
C -1.271480 -3.395959 0.380149
C -1.879767 -1.060554 1.229764
C -1.072520 2.493682 0.737667
C -1.016420 0.021072 1.430647
C -2.829086 0.679374 0.282685
C -0.776467 2.934036 -0.694579
C -2.499797 -3.645274 -0.488660
C -1.128874 4.235794 -1.124768
C -0.114129 2.062573 -1.596420
C 1.065021 -2.634881 0.142795
C -0.819694 4.667720 -2.435587
C 0.189390 2.490716 -2.906723
C 3.211292 -1.496009 -0.195985
C -0.159815 3.795478 -3.330346
C 3.116336 -0.241327 0.649324
C 3.169478 1.039905 0.043454
C 2.957704 -0.332209 2.057380
C 3.060997 2.212035 0.825431
C 2.854568 0.838529 2.842329
C 2.905279 2.113586 2.228638
H -2.588193 -2.928042 2.052915
H -0.854507 -2.579358 2.347391
H -0.961590 -4.376013 0.790104
H -0.140414 2.496821 1.332860
H -1.770759 3.205953 1.215453
H -0.048557 0.090756 1.921837
H -3.509100 1.332488 -0.259044
H -0.396808 -2.404364 -1.311571
H -1.649811 4.913667 -0.436644
H 0.156742 1.050247 -1.273524
H -1.100111 5.676546 -2.758519
H 0.694869 1.807593 -3.598615
H 3.811335 -1.335553 -1.105547
H 3.608017 -2.346669 0.383918
H 0.075016 4.125863 -4.348316
H -3.237243 -3.181480 -2.255764
H 3.290328 1.120498 -1.043950
H 2.897271 -1.322717 2.520931
H 3.103558 3.195000 0.343333
H 2.740974 0.757587 3.929261
H 2.835656 3.021431 2.838973


