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	hartrees
Energy at 0K	-94.486491
Energy at 298.15K	-94.489387
HF Energy	-94.486491
Nuclear repulsion energy	32.715645

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'	3430	3407	8.94	106.57	0.57	0.72
2	A'	3221	3199	68.05	507.70	0.30	0.47
3	A'	2829	2810	113.87	177.89	0.54	0.70
4	A'	1630	1619	4.53	35.31	0.43	0.60
5	A'	1414	1404	6.70	7.56	0.42	0.60
6	A'	1337	1328	14.32	2.15	0.63	0.77
7	A'	1038	1031	31.32	18.58	0.41	0.58
8	A"	1135	1127	12.10	1.35	0.75	0.86
9	A"	790	784	133.76	1.18	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.789
N2	0.063	-0.523
H3	-1.012	1.096
H4	-0.758	-1.148
H5	0.952	-1.023

	C1	N2	H3	H4	H5
C1		1.3120	1.1176	2.1038	2.0189
N2	1.3120		1.9432	1.0316	1.0207
H3	1.1176	1.9432		2.2586	2.8896
H4	2.1038	1.0316	2.2586		1.7148
H5	2.0189	1.0207	2.8896	1.7148

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.303		C1	N2	H5	119.355
N2	C1	H3	105.948		H4	N2	H5	113.342

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBE/cc-pVTZ

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	-0.287
2	N	-0.076
3	H	0.057
4	H	0.133
5	H	0.172

	x	y	z	Total
	-1.211	-3.235	0.000	3.454
CHELPG
AIM
ESP

	x	y	z
x	3.429	-0.015	0.000
y	-0.015	4.525	0.000
z	0.000	0.000	2.183

<r²>	20.008
(<r²>)^1/2	4.473

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)