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	hartrees
Energy at 0K	-94.532945
Energy at 298.15K	-94.535840
HF Energy	-94.532945
Nuclear repulsion energy	32.578510

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'	3461	3461	12.56	104.73	0.69	0.81
2	A'	3254	3254	60.31	603.33	0.29	0.45
3	A'	2844	2844	123.17	202.13	0.58	0.73
4	A'	1646	1646	7.13	28.62	0.58	0.73
5	A'	1396	1396	13.75	14.47	0.11	0.20
6	A'	1337	1337	11.44	23.89	0.19	0.33
7	A'	1044	1044	27.48	23.81	0.25	0.41
8	A"	1124	1124	9.84	0.24	0.75	0.86
9	A"	784	784	136.25	0.75	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.794
N2	0.063	-0.527
H3	-1.016	1.101
H4	-0.759	-1.147
H5	0.952	-1.027

	C1	N2	H3	H4	H5
C1		1.3211	1.1226	2.1078	2.0257
N2	1.3211		1.9537	1.0296	1.0193
H3	1.1226	1.9537		2.2626	2.8984
H4	2.1078	1.0296	2.2626		1.7150
H5	2.0257	1.0193	2.8984	1.7150

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.009		C1	N2	H5	119.328
N2	C1	H3	105.875		H4	N2	H5	113.663

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/daug-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	0.024
2	N	0.273
3	H	-0.287
4	H	0.013
5	H	-0.023

	x	y	z	Total
	-1.250	-3.187	0.000	3.423
CHELPG
AIM
ESP

	x	y	z
x	4.134	0.222	0.000
y	0.222	5.313	0.000
z	0.000	0.000	3.163

<r²>	20.317
(<r²>)^1/2	4.507

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)