RHF energy = -49.035463402174585 MO energy = [-7.71150512 -7.71074371 -0.71192457 -0.36623739 -0.31151507 -0.03575807 -0.01982288 0.12428643 0.1461567 0.2510238 0.39597947 0.42509134 0.43639766 0.49174104 0.52112104 0.5272666 0.63065337 0.78754651 0.78758903 0.83374585 0.87242704 0.89011949 1.0345815 1.03487466 1.30994947 1.32701893 1.35291378 1.54368225] MO coefficients = [[ 7.07428839e-01 7.08511676e-01 -8.55225944e-03 -2.77364224e-03 -2.70564642e-16 -2.27838547e-02 1.77157761e-16 -5.74810853e-16 -4.82223995e-17 -5.43098069e-02 -1.43277365e-01 2.52750386e-15 5.21826715e-16 4.19643298e-01 -9.19240892e-15 -5.24818334e-16 -1.92191844e-01 -2.98683831e-15 -5.13721936e-03 -6.56621351e-01 1.16154868e-15 1.46800210e-16 6.82976192e-15 -5.23988382e-03 -4.47850960e-01 -3.79402439e-16 4.13030632e-16 2.86120266e-01] [ 4.21701529e-04 1.80081250e-03 3.46637487e-01 -3.28188195e-01 -3.27592875e-15 5.17145174e-03 -5.18311554e-17 -6.30208549e-16 -1.87687882e-16 1.02819946e-01 -2.76359072e-01 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-3.83863112e-17 -2.20786036e-02 6.20708043e-03 -8.10691250e-03 -5.76023702e-16 -6.63980752e-16 -3.44504212e-02 -1.01149715e-01 8.90713122e-16 4.02806416e-02 1.26457582e-01 2.91682520e-16 1.73450261e-16 1.84380939e-15 9.08015356e-16 5.68553584e-01 1.88802588e-01 -9.01966625e-16 6.23901276e-16 -1.04315711e-15 1.12421344e+00 3.74449792e-01 -4.70382911e-16] [ 1.74307390e-04 -3.46258029e-04 2.21620892e-02 -1.39639074e-02 3.49070318e-16 -1.36508183e-02 2.01723576e-17 4.28990031e-16 -5.28817718e-18 -8.77463394e-02 -4.20675407e-02 3.64507259e-15 -1.62043372e-16 8.76495826e-02 4.60626538e-15 1.46969501e-16 3.42172542e-01 -3.48947361e-15 5.43636013e-03 -3.11820061e-01 -3.04687579e-16 1.40978055e-16 1.36005677e-14 -1.09884912e-02 9.04211846e-01 7.84261788e-16 -1.14044050e-15 -1.17863487e+00] [ 8.77181691e-18 -1.25855594e-17 3.08435561e-16 4.53026005e-16 -4.09987063e-02 2.34991355e-16 7.35076125e-03 1.86434662e-02 2.69908275e-03 6.11268852e-16 -2.35026962e-15 -1.03474616e-01 3.36763781e-02 1.75052989e-15 1.20986152e-01 -4.21022774e-02 -2.38882741e-15 -5.61301031e-16 -9.87171353e-16 1.43176908e-16 -1.89291937e-01 5.67083783e-01 6.93627214e-16 5.70131256e-16 2.46522322e-16 -3.74291087e-01 1.12469012e+00 -1.43654414e-15] [ 2.57224807e-04 -1.56187301e-04 3.67329849e-03 -4.97321209e-03 3.71874729e-16 -4.03597464e-04 1.91871534e-16 -2.35390143e-16 -1.12864180e-16 4.87967509e-03 -1.59906678e-03 1.81192087e-15 -3.91401568e-17 1.70858109e-03 2.45301204e-15 4.45850391e-16 1.71793538e-02 -3.84911990e-01 5.13951467e-01 3.71038622e-03 -3.91626891e-16 -5.43230286e-16 4.77668182e-01 -6.37487744e-01 -3.42620232e-03 2.53324371e-17 4.85787630e-16 9.64478903e-03]] CCSD total energy = -49.228764684708594 CCSD(T) total energy = -49.24361635045465