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	hartrees
Energy at 0K	-94.617115
Energy at 298.15K	-94.620023
HF Energy	-94.617115
Nuclear repulsion energy	32.931959

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'	3538	3538	20.63	92.28	0.66	0.80
2	A'	3379	3379	20.09	421.65	0.26	0.41
3	A'	2925	2925	95.75	177.20	0.51	0.68
4	A'	1687	1687	14.59	20.52	0.58	0.74
5	A'	1435	1435	15.75	11.20	0.16	0.27
6	A'	1383	1383	11.88	15.87	0.14	0.25
7	A'	1075	1075	24.52	14.79	0.23	0.38
8	A"	1153	1153	10.39	0.14	0.75	0.86
9	A"	803	803	144.45	0.44	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.784
N2	0.063	-0.523
H3	-0.996	1.101
H4	-0.759	-1.125
H5	0.942	-1.022

	C1	N2	H3	H4	H5
C1		1.3067	1.1046	2.0783	2.0085
N2	1.3067		1.9381	1.0189	1.0113
H3	1.1046	1.9381		2.2385	2.8742
H4	2.0783	1.0189	2.2385		1.7046
H5	2.0085	1.0113	2.8742	1.7046

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.231		C1	N2	H5	119.565
N2	C1	H3	106.680		H4	N2	H5	114.203

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYPultrafine/daug-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	-1.084
2	N	-0.345
3	H	0.584
4	H	0.291
5	H	0.553

	x	y	z	Total
	-1.333	-3.200	0.000	3.467
CHELPG
AIM
ESP

	x	y	z
x	3.881	0.140	0.000
y	0.140	4.938	0.000
z	0.000	0.000	3.061

<r²>	20.055
(<r²>)^1/2	4.478

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYPultrafine/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)