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	hartrees
Energy at 0K	-17.248230
Energy at 298.15K	-17.251166
HF Energy	-17.248230
Nuclear repulsion energy	18.989744

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'	3570	3479	10.90	100.56	0.66	0.80
2	A'	3359	3274	35.30	386.97	0.30	0.46
3	A'	2801	2729	177.37	199.28	0.53	0.69
4	A'	1730	1686	13.07	32.91	0.43	0.60
5	A'	1415	1379	39.79	10.43	0.67	0.80
6	A'	1327	1293	19.80	2.14	0.08	0.16
7	A'	1070	1043	28.38	17.68	0.52	0.68
8	A"	1130	1101	17.10	1.84	0.75	0.86
9	A"	902	879	256.81	1.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.809
N2	0.063	-0.541
H3	-1.021	1.116
H4	-0.754	-1.162
H5	0.957	-1.023

	C1	N2	H3	H4	H5
C1		1.3500	1.1266	2.1333	2.0385
N2	1.3500		1.9803	1.0259	1.0157
H3	1.1266	1.9803		2.2935	2.9135
H4	2.1333	1.0259	2.2935		1.7166
H5	2.0385	1.0157	2.9135	1.7166

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.222		C1	N2	H5	118.326
N2	C1	H3	105.829		H4	N2	H5	114.452

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/CEP-121G

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	-0.166
2	N	-0.483
3	H	0.051
4	H	0.274
5	H	0.324

	x	y	z	Total
	-1.416	-3.290	0.000	3.582
CHELPG
AIM
ESP

	x	y	z
x	3.180	-0.125	0.000
y	-0.125	4.245	0.000
z	0.000	0.000	1.849

<r²>	18.569
(<r²>)^1/2	4.309

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)