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	hartrees
Energy at 0K	-94.559771
Energy at 298.15K	-94.562691
HF Energy	-94.559771
Nuclear repulsion energy	33.044314

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'	3588	3588	23.18	76.57	0.68	0.81
2	A'	3437	3437	10.93	306.15	0.24	0.39
3	A'	2942	2942	93.43	148.10	0.53	0.69
4	A'	1692	1692	17.72	17.10	0.63	0.77
5	A'	1461	1461	13.06	10.45	0.21	0.34
6	A'	1387	1387	17.20	6.97	0.16	0.28
7	A'	1072	1072	22.55	8.61	0.35	0.52
8	A"	1161	1161	10.26	0.33	0.75	0.86
9	A"	822	822	146.79	0.28	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.781
N2	0.063	-0.520
H3	-0.997	1.093
H4	-0.756	-1.122
H5	0.940	-1.019

	C1	N2	H3	H4	H5
C1		1.3012	1.1044	2.0718	2.0024
N2	1.3012		1.9294	1.0159	1.0091
H3	1.1044	1.9294		2.2277	2.8651
H4	2.0718	1.0159	2.2277		1.6985
H5	2.0024	1.0091	2.8651	1.6985

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.353		C1	N2	H5	119.625
N2	C1	H3	106.368		H4	N2	H5	114.022

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/6-311+G(3df,2p)

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	-0.068
2	N	-0.443
3	H	0.134
4	H	0.176
5	H	0.201

	x	y	z	Total
	-1.347	-3.256	0.000	3.524
CHELPG
AIM
ESP

	x	y	z
x	3.560	0.086	0.000
y	0.086	4.652	0.000
z	0.000	0.000	2.801

<r²>	19.863
(<r²>)^1/2	4.457

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)