From 7e2bca66bb173c4ae6f01fa2fffdab4aaafaa739 Mon Sep 17 00:00:00 2001 From: EnzoMonino Date: Mon, 11 Jan 2021 08:42:30 +0100 Subject: [PATCH] H2 TDDFT output Gaussian --- output/H2/TDDFT/h2_tddft_eighth_excitation | 71 +++++++++++++++++++++ output/H2/TDDFT/h2_tddft_fifth_excitation | 71 +++++++++++++++++++++ output/H2/TDDFT/h2_tddft_first_excitation | 71 +++++++++++++++++++++ output/H2/TDDFT/h2_tddft_fourth_excitation | 71 +++++++++++++++++++++ output/H2/TDDFT/h2_tddft_ninth_excitation | 71 +++++++++++++++++++++ output/H2/TDDFT/h2_tddft_second_excitation | 71 +++++++++++++++++++++ output/H2/TDDFT/h2_tddft_seventh_excitation | 71 +++++++++++++++++++++ output/H2/TDDFT/h2_tddft_sixth_excitation | 71 +++++++++++++++++++++ output/H2/TDDFT/h2_tddft_tenth_excitation | 71 +++++++++++++++++++++ output/H2/TDDFT/h2_tddft_third_excitation | 71 +++++++++++++++++++++ 10 files changed, 710 insertions(+) create mode 100644 output/H2/TDDFT/h2_tddft_eighth_excitation create mode 100644 output/H2/TDDFT/h2_tddft_fifth_excitation create mode 100644 output/H2/TDDFT/h2_tddft_first_excitation create mode 100644 output/H2/TDDFT/h2_tddft_fourth_excitation create mode 100644 output/H2/TDDFT/h2_tddft_ninth_excitation create mode 100644 output/H2/TDDFT/h2_tddft_second_excitation create mode 100644 output/H2/TDDFT/h2_tddft_seventh_excitation create mode 100644 output/H2/TDDFT/h2_tddft_sixth_excitation create mode 100644 output/H2/TDDFT/h2_tddft_tenth_excitation create mode 100644 output/H2/TDDFT/h2_tddft_third_excitation diff --git a/output/H2/TDDFT/h2_tddft_eighth_excitation b/output/H2/TDDFT/h2_tddft_eighth_excitation new file mode 100644 index 0000000..b05abad --- /dev/null +++ b/output/H2/TDDFT/h2_tddft_eighth_excitation @@ -0,0 +1,71 @@ +30.0054 +29.3857 +28.7628 +28.1925 +27.6596 +27.1466 +26.6543 +26.1802 +25.7216 +25.2768 +24.8458 +24.4294 +24.0286 +23.6439 +23.2753 +22.9220 +22.5834 +22.2582 +21.9457 +21.6452 +21.3564 +21.0789 +20.8126 +20.5572 +20.3125 +20.0779 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b/output/H2/TDDFT/h2_tddft_ninth_excitation new file mode 100644 index 0000000..da23d0b --- /dev/null +++ b/output/H2/TDDFT/h2_tddft_ninth_excitation @@ -0,0 +1,71 @@ +36.2882 +36.0689 +35.8827 +35.7336 +35.6158 +35.5195 +35.4362 +34.9474 +34.4453 +33.9463 +33.4611 +32.9950 +32.5465 +32.1093 +31.6764 +31.2439 +30.8124 +30.3853 +29.9652 +29.5521 +29.1443 +28.7397 +28.3373 +27.9381 +27.5445 +27.1601 +26.7879 +26.4295 +26.0846 +25.7506 +25.4239 +25.1012 +24.7800 +24.4594 +24.1395 +23.8215 +23.5072 +23.1984 +22.8968 +22.6039 +22.3201 +22.0454 +21.7792 +21.5202 +21.2670 +21.0185 +20.7736 +20.5316 +20.2921 +20.0552 +19.8211 +19.5903 +19.3635 +19.1414 +18.9245 +18.7133 +18.5082 +18.3097 +18.1183 +17.9347 +17.7592 +17.5923 +17.4338 +17.2839 +17.1426 +17.0101 +16.8864 +16.7716 +16.6658 +16.5686 +16.4798 diff --git a/output/H2/TDDFT/h2_tddft_second_excitation b/output/H2/TDDFT/h2_tddft_second_excitation new file mode 100644 index 0000000..5d9a21d --- /dev/null +++ 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