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	hartrees
Energy at 0K	-94.562465
Energy at 298.15K	-94.565386
HF Energy	-94.562465
Nuclear repulsion energy	32.977838

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'	3599	3599	30.83	70.01	0.68	0.81
2	A'	3459	3459	1.10	235.76	0.21	0.34
3	A'	2963	2963	81.35	131.65	0.49	0.65
4	A'	1690	1690	25.29	12.58	0.66	0.79
5	A'	1459	1459	17.98	12.11	0.20	0.33
6	A'	1396	1396	16.72	4.53	0.13	0.22
7	A'	1077	1077	20.18	5.88	0.35	0.51
8	A"	1161	1161	11.02	0.24	0.75	0.86
9	A"	825	825	150.12	0.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.784
N2	0.063	-0.521
H3	-0.998	1.090
H4	-0.759	-1.120
H5	0.942	-1.020

	C1	N2	H3	H4	H5
C1		1.3050	1.1042	2.0737	2.0069
N2	1.3050		1.9291	1.0171	1.0113
H3	1.1042	1.9291		2.2227	2.8667
H4	2.0737	1.0171	2.2227		1.7048
H5	2.0069	1.0113	2.8667	1.7048

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.063		C1	N2	H5	119.555
N2	C1	H3	106.095		H4	N2	H5	114.382

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: M06-2X/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	-0.065
2	N	-0.531
3	H	0.152
4	H	0.210
5	H	0.233

	x	y	z	Total
	-1.360	-3.218	0.000	3.494
CHELPG
AIM
ESP

	x	y	z
x	3.488	0.032	0.000
y	0.032	4.542	0.000
z	0.000	0.000	2.770

<r²>	19.935
(<r²>)^1/2	4.465

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)