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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	³B₁
1	2	no	D*H	³Σ_g
2	1	yes	C2V	¹A₁

	hartrees
Energy at 0K	-39.033588
Energy at 298.15K	-39.033403
HF Energy	-38.929617
Nuclear repulsion energy	6.141690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3163	2939	0.36
2	A₁	1132	1051	9.39
3	B₂	3389	3149	0.30

Atom	y (Å)	z (Å)
C1	0.000	0.108
H2	0.990	-0.325
H3	-0.990	-0.325

	C1	H2	H3
C1		1.0810	1.0810
H2	1.0810		1.9807
H3	1.0810	1.9807

All results from a given calculation for CH₂ (Methylene)

using model chemistry: CID/6-311G*

States and conformations

State 1 (³B₁) , Conformer 1 (C2V)

State 1 (³Σ_g) , Conformer 2 (D*H)

State 2 (¹A₁) , Conformer 1 (C2V)

State 2 () , Conformer 2 ()

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-39.023060
Energy at 298.15K
HF Energy	-38.917098
Nuclear repulsion energy	6.186056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3233	3004	0.00
2	Σ_u	3574	3321	49.82
3	Π_u	1068i	992i	137.01
3	Π_u	1068i	992i	137.01

	hartrees
Energy at 0K	-39.008572
Energy at 298.15K	-39.008411
HF Energy	-38.883527
Nuclear repulsion energy	6.016763

	C1	H2	H3
C1		1.0693	1.0693
H2	1.0693		2.1386
H3	1.0693	2.1386

	C1	H2	H3
C1		1.1120	1.1120
H2	1.1120		1.7281
H3	1.1120	1.7281

All results from a given calculation for CH2 (Methylene)

using model chemistry: CID/6-311G*

States and conformations

State 1 (3B1) , Conformer 1 (C2V)

State 1 (3Σg) , Conformer 2 (D*H)

State 2 (1A1) , Conformer 1 (C2V)

State 2 () , Conformer 2 ()

All results from a given calculation for CH₂ (Methylene)

State 1 (³B₁) , Conformer 1 (C2V)

State 1 (³Σ_g) , Conformer 2 (D*H)

State 2 (¹A₁) , Conformer 1 (C2V)