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	hartrees
Energy at 0K	-94.466497
Energy at 298.15K	-94.469392
HF Energy	-94.466497
Nuclear repulsion energy	32.537456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3437	3416	14.05	111.63	0.69	0.82
2	A'	3227	3208	64.63	655.18	0.29	0.45
3	A'	2845	2827	105.24	206.48	0.61	0.76
4	A'	1627	1617	7.06	30.88	0.57	0.73
5	A'	1408	1399	7.66	10.41	0.24	0.39
6	A'	1324	1316	14.30	23.45	0.20	0.33
7	A'	1032	1026	29.55	23.86	0.32	0.48
8	A"	1120	1113	11.49	0.51	0.75	0.86
9	A"	797	792	136.04	1.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.794
N2	0.063	-0.527
H3	-1.019	1.103
H4	-0.762	-1.151
H5	0.957	-1.027

	C1	N2	H3	H4	H5
C1		1.3201	1.1260	2.1123	2.0282
N2	1.3201		1.9561	1.0348	1.0242
H3	1.1260	1.9561		2.2681	2.9054
H4	2.1123	1.0348	2.2681		1.7231
H5	2.0282	1.0242	2.9054	1.7231

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.114		C1	N2	H5	119.266
N2	C1	H3	105.926		H4	N2	H5	113.620

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.009
2	N	0.248
3	H	-0.178
4	H	-0.074
5	H	0.014

	x	y	z	Total
	-1.258	-3.237	0.000	3.473
CHELPG
AIM
ESP

	x	y	z
x	4.084	0.234	0.000
y	0.234	5.310	0.000
z	0.000	0.000	3.019

<r²>	20.402
(<r²>)^1/2	4.517

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)