%chk=000253912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253912

0 1
O 0.548303 -3.551684 1.476183
O -1.954836 -3.139172 0.180151
N 2.042513 -0.346423 1.543356
N -0.387084 -1.540433 0.791075
C 2.253104 0.816453 2.470511
C 3.265765 -0.613133 0.715304
C 2.147250 2.123604 1.666538
C 2.930255 -1.557087 -0.449626
C 1.605635 -1.560342 2.293286
C 2.282840 3.346592 2.582306
C 4.101247 -1.648565 -1.437460
C 0.561586 -2.344089 1.483720
C 2.184099 4.650114 1.793670
C 3.789968 -2.608434 -2.583093
C -1.550520 -2.005930 0.103512
C -2.228115 -0.915745 -0.676173
C -1.542175 -0.215450 -1.676577
C -3.576995 -0.642594 -0.414256
C -2.209069 0.769184 -2.410857
C -4.236267 0.347727 -1.148073
C -3.553172 1.052791 -2.144587
H 3.224824 0.768836 3.006678
H 1.460452 0.802203 3.251028
H 4.106676 -1.026089 1.312957
H 3.614731 0.364853 0.309614
H 1.179561 2.152632 1.127591
H 2.923087 2.151424 0.875932
H 2.019244 -1.203657 -0.971275
H 2.681843 -2.569506 -0.072091
H 1.137786 -1.293512 3.268387
H 2.437737 -2.260792 2.538781
H 3.249054 3.310930 3.123167
H 1.497201 3.324414 3.363330
H 5.015880 -1.984287 -0.909962
H 4.334886 -0.645386 -1.844492
H 2.973172 4.727104 1.036855
H 2.278100 5.520171 2.453754
H 1.222841 4.736780 1.273804
H 3.581114 -3.621160 -2.216173
H 4.631451 -2.680678 -3.281020
H 2.913399 -2.285944 -3.156447
H -0.170510 -0.530195 0.737815
H -0.497217 -0.442707 -1.889659
H -4.109172 -1.208546 0.352463
H -1.681913 1.313402 -3.193094
H -5.284598 0.564599 -0.946854
H -4.070257 1.821726 -2.718000


%chk=000253912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253912

0 1
O -0.157029 -2.982235 3.065941
O -2.647409 -1.981500 1.760715
N 2.119948 -0.653339 1.331772
N -0.416407 -1.405680 1.293879
C 2.095104 0.562270 2.207650
C 3.356658 -0.758680 0.500518
C 1.805796 1.867088 1.438019
C 3.155141 -1.579086 -0.790284
C 1.823188 -1.890413 2.101432
C 1.788325 3.102396 2.368487
C 4.462852 -1.727132 -1.601538
C 0.300523 -2.161469 2.236265
C 1.488502 4.411926 1.607903
C 4.265702 -2.522702 -2.909855
C -1.806799 -1.355777 1.060785
C -2.230023 -0.471271 -0.090912
C -1.333946 0.084609 -1.043560
C -3.618849 -0.203863 -0.211876
C -1.822195 0.896993 -2.090386
C -4.104538 0.610454 -1.254197
C -3.206449 1.165852 -2.196717
H 3.052786 0.660226 2.773487
H 1.296861 0.413566 2.960154
H 4.196788 -1.193351 1.094174
H 3.664853 0.265579 0.222939
H 0.827023 1.773446 0.926293
H 2.563546 2.025375 0.644412
H 2.381513 -1.084028 -1.411192
H 2.764653 -2.588583 -0.549107
H 2.251434 -1.885507 3.125973
H 2.253189 -2.765056 1.579412
H 2.766480 3.188523 2.884369
H 1.028783 2.952555 3.162226
H 5.227353 -2.230194 -0.974919
H 4.866055 -0.720693 -1.836340
H 2.252493 4.604003 0.830979
H 1.476128 5.280468 2.291090
H 0.503914 4.362240 1.106450
H 3.892413 -3.542879 -2.701715
H 5.213574 -2.618321 -3.470020
H 3.531083 -2.025935 -3.571042
H 0.250168 -0.802869 0.767068
H -0.258035 -0.123600 -1.002655
H -4.292202 -0.653354 0.525449
H -1.125195 1.314885 -2.825115
H -5.178201 0.811738 -1.334774
H -3.581847 1.797328 -3.009637


