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	hartrees
Energy at 0K	-94.562484
Energy at 298.15K	-94.565400
HF Energy	-94.562484
Nuclear repulsion energy	33.048953

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'	3579	3579	21.93	90.84	0.67	0.80
2	A'	3428	3428	12.60	362.95	0.24	0.39
3	A'	2945	2945	97.29	170.32	0.49	0.65
4	A'	1692	1692	17.36	17.77	0.60	0.75
5	A'	1459	1459	13.11	9.42	0.20	0.34
6	A'	1387	1387	15.29	13.96	0.09	0.17
7	A'	1073	1073	22.99	11.95	0.23	0.38
8	A"	1161	1161	10.27	0.16	0.75	0.86
9	A"	821	821	144.13	0.38	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.781
N2	0.063	-0.520
H3	-0.997	1.092
H4	-0.756	-1.121
H5	0.940	-1.018

	C1	N2	H3	H4	H5
C1		1.3014	1.1040	2.0710	2.0015
N2	1.3014		1.9292	1.0153	1.0085
H3	1.1040	1.9292		2.2266	2.8640
H4	2.0710	1.0153	2.2266		1.6986
H5	2.0015	1.0085	2.8640	1.6986

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.299		C1	N2	H5	119.569
N2	C1	H3	106.363		H4	N2	H5	114.132

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/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	-1.278
2	N	-0.438
3	H	0.674
4	H	0.385
5	H	0.658

	x	y	z	Total
	-1.319	-3.231	0.000	3.490
CHELPG
AIM
ESP

	x	y	z
x	3.799	0.105	0.000
y	0.105	4.788	0.000
z	0.000	0.000	2.981

<r²>	19.860
(<r²>)^1/2	4.456

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)