%chk=000251923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251923

0 1
O -0.771379 3.299081 0.027729
O 1.565211 -2.250676 -0.051254
O -1.346883 -2.604317 0.188424
O -2.909036 2.622697 0.138589
O -3.526056 -0.551023 1.368936
O -3.683581 -0.632998 -0.792214
O 3.013273 2.380814 -0.691966
N 2.640961 0.203643 -0.030224
N -3.071490 -0.508905 0.246346
C 0.334382 1.212385 -0.023812
C -1.054970 0.979615 0.056434
C 1.227667 0.135182 -0.044931
C 0.569795 2.696208 -0.064036
C -1.597143 -0.290273 0.130228
C 0.671015 -1.181534 -0.025174
C -0.712939 -1.405842 0.100807
C -1.754268 2.316978 0.081605
C 3.469634 1.321060 -0.325651
C 1.874542 -2.694503 -1.407083
C -0.579331 -3.793504 0.532020
C 4.930048 1.038701 -0.143253
H 1.134504 3.096710 0.794361
H 0.991351 3.066415 -1.020016
H 3.095929 -0.697672 0.198287
H 2.343914 -1.887506 -1.975026
H 0.964821 -3.041808 -1.906597
H 2.571630 -3.519659 -1.223550
H -0.133864 -4.197489 -0.380648
H -1.368675 -4.449159 0.925716
H 0.181869 -3.574031 1.287792
H 5.181159 0.730224 0.882334
H 5.516469 1.953309 -0.349449
H 5.305142 0.266078 -0.829024


%chk=000251923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251923

0 1
O -0.846856 3.253847 0.504290
O 1.827622 -2.118611 -0.365320
O -0.979688 -2.733544 -0.386209
O -3.000697 2.347109 0.510183
O -3.335440 -1.394607 0.917786
O -3.614954 -0.265143 -1.049206
O 3.139942 2.588342 -0.620489
N 2.758676 0.328866 -0.127309
N -2.905506 -0.682727 -0.068194
C 0.394255 1.265592 0.053540
C -0.987033 0.961185 0.066172
C 1.345556 0.229260 -0.123819
C 0.541945 2.758735 0.298978
C -1.456620 -0.355842 -0.076857
C 0.851318 -1.109269 -0.261631
C -0.533608 -1.415602 -0.212374
C -1.778969 2.194530 0.363431
C 3.583009 1.434473 -0.360651
C 1.775268 -2.970778 -1.588963
C -0.949939 -3.564693 0.852787
C 5.075982 1.138528 -0.273298
H 1.120327 3.000315 1.205920
H 0.982311 3.297802 -0.550662
H 3.208279 -0.592406 -0.060163
H 1.979002 -2.351599 -2.481352
H 0.788225 -3.452100 -1.671573
H 2.569574 -3.718484 -1.450068
H 0.082780 -3.636426 1.239687
H -1.316372 -4.553189 0.540626
H -1.628973 -3.124520 1.602138
H 5.500829 1.690490 0.583669
H 5.569971 1.520645 -1.182163
H 5.313483 0.068022 -0.153206


