141 ->144 0.13236
143 ->144 0.67643
143 ->145 0.13953
This state for optimization and/or second-order correction.
Total Energy, E(TD-HF/TD-DFT) = -1831.70982505
Copying the excited state density for this state as the 1-particle RhoCI density.
Excited State 2: Singlet-A 2.9078 eV 426.38 nm f=0.0364 <S**2>=0.000
142 ->144 0.69784 b1-td opt（root=1）结果为：
Excited State 1: Singlet-A 2.2762 eV 544.70 nm f=1.2177 <S**2>=0.000
143 ->144 -0.69584
This state for optimization and/or second-order correction.
Total Energy, E(TD-HF/TD-DFT) = -1831.71877383
Copying the excited state density for this state as the 1-particle RhoCI density.
Excited State 2: Singlet-A 2.8282 eV 438.39 nm f=0.1075 <S**2>=0.000
142 ->144 0.69634 b2-td结果为：Excited State 1: Singlet-A 2.4311 eV 509.99 nm f=0.3971 <S**2>=0.000
110 ->112 0.19557
111 ->112 0.67769
This state for optimization and/or second-order correction.
Total Energy, E(TD-HF/TD-DFT) = -1374.78881362
Copying the excited state density for this state as the 1-particle RhoCI density.
Excited State 2: Singlet-A 3.0530 eV 406.11 nm f=0.3239 <S**2>=0.000
109 ->112 -0.36953
110 ->112 0.57552
111 ->112 -0.16343 b2-td opt（root=1）结果为：
Excited State 1: Singlet-A 1.6951 eV 731.44 nm f=0.3254 <S**2>=0.000
111 ->112 0.70552
This state for optimization and/or second-order correction.
Total Energy, E(TD-HF/TD-DFT) = -1374.80451254
Copying the excited state density for this state as the 1-particle RhoCI density.
Excited State 2: Singlet-A 2.7288 eV 454.35 nm f=0.7051 <S**2>=0.000
110 ->112 0.70097
发现b2-td中，Excited State 1： f=0.3971，Excited State 2：f=0.3239，于是又b2-td opt（root=2）优化，结果如下：
Excited State 1: Singlet-A 2.1213 eV 584.48 nm f=0.3990 <S**2>=0.000
110 ->112 0.18753
111 ->112 0.68040
Excited State 2: Singlet-A 2.4878 eV 498.36 nm f=0.5273 <S**2>=0.000
110 ->112 0.67924
111 ->112 -0.19103
This state for optimization and/or second-order correction.