%chk=000249435.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249435

0 1
O 4.561239 -1.620836 -0.373504
O -0.691173 2.879637 1.669582
O 1.567269 2.789388 1.469367
N 1.954713 -0.587036 0.157432
N -1.780258 2.125222 1.261282
C 0.759593 -0.263810 0.998792
C 0.122420 1.019304 0.433163
C 2.202119 -2.066394 0.112539
C 3.180842 0.121255 0.653603
C 3.391443 -2.327786 -0.827743
C 4.345128 -0.195848 -0.296016
C -1.394550 1.072404 0.572102
C 0.525479 2.269943 1.206439
C -2.306307 0.081407 -0.005627
C -1.887646 -0.723507 -1.080201
C -3.606461 -0.063406 0.510107
C -2.763362 -1.662622 -1.627897
C -4.474800 -1.007253 -0.043687
C -4.055850 -1.807137 -1.111120
H 0.017118 -1.092872 0.934552
H 0.990616 -0.142395 2.079440
H 0.421920 1.138100 -0.646211
H 1.293786 -2.567653 -0.283299
H 2.414812 -2.500278 1.113447
H 3.454257 -0.164136 1.692475
H 2.983616 1.218608 0.660931
H 3.721856 -3.380916 -0.797500
H 3.166384 -2.024028 -1.865400
H 4.166819 0.196530 -1.312443
H 5.311888 0.169755 0.093095
H -0.883340 -0.615434 -1.492412
H -3.938353 0.565605 1.339612
H -2.439565 -2.282541 -2.463372
H -5.482323 -1.116193 0.357486
H -4.735929 -2.541080 -1.542414


%chk=000249435-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249435

0 1
O 4.088850 -1.825036 -0.934762
O -1.030167 2.759328 2.364881
O 1.306852 2.893731 2.438310
N 1.769443 -0.620015 0.330000
N -2.030372 1.905226 1.656110
C 0.958496 -0.062251 1.435823
C 0.149275 1.201841 0.982299
C 2.097525 -2.059550 0.530609
C 3.014470 0.163544 0.088079
C 2.856625 -2.591423 -0.697060
C 3.760653 -0.403288 -1.130011
C -1.356166 1.046311 0.890413
C 0.290065 2.358800 1.975936
C -2.076872 0.077116 0.046199
C -1.362622 -0.745440 -0.869423
C -3.494921 -0.036376 0.130374
C -2.060970 -1.660482 -1.686993
C -4.181485 -0.951462 -0.688479
C -3.467777 -1.767034 -1.601985
H 0.253464 -0.838866 1.780208
H 1.593026 0.224625 2.306879
H 0.559564 1.527938 0.007376
H 1.155578 -2.626558 0.657320
H 2.723704 -2.214224 1.442530
H 3.683927 0.131899 0.981424
H 2.759097 1.224255 -0.095014
H 3.180837 -3.633257 -0.541011
H 2.199823 -2.535253 -1.592755
H 3.136889 -0.283776 -2.042474
H 4.727387 0.105785 -1.273725
H -0.268288 -0.671861 -0.930567
H -4.038226 0.598081 0.837804
H -1.507244 -2.288616 -2.393599
H -5.271590 -1.032142 -0.618639
H -4.005450 -2.477574 -2.239476


