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	hartrees
Energy at 0K	-94.559750
Energy at 298.15K	-94.562669
HF Energy	-94.559750
Nuclear repulsion energy	33.039566

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'	3582	3428	17.70	92.22	0.63	0.77
2	A'	3427	3280	13.42	290.40	0.25	0.40
3	A'	2933	2808	110.14	160.27	0.46	0.63
4	A'	1691	1618	14.34	19.88	0.48	0.65
5	A'	1461	1398	11.08	8.26	0.29	0.45
6	A'	1392	1333	16.21	1.78	0.75	0.86
7	A'	1074	1028	23.67	8.28	0.44	0.61
8	A"	1166	1116	11.91	1.30	0.75	0.86
9	A"	815	781	147.56	0.54	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.520
H3	-1.000	1.088
H4	-0.754	-1.124
H5	0.941	-1.016

	C1	N2	H3	H4	H5
C1		1.3019	1.1053	2.0731	2.0011
N2	1.3019		1.9270	1.0154	1.0086
H3	1.1053	1.9270		2.2252	2.8621
H4	2.0731	1.0154	2.2252		1.6979
H5	2.0011	1.0086	2.8621	1.6979

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.477		C1	N2	H5	119.479
N2	C1	H3	106.073		H4	N2	H5	114.044

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/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	-0.304
2	N	-0.125
3	H	0.077
4	H	0.163
5	H	0.189

	x	y	z	Total
	-1.280	-3.227	0.000	3.472
CHELPG
AIM
ESP

	x	y	z
x	3.225	-0.103	0.000
y	-0.103	4.146	0.000
z	0.000	0.000	2.141

<r²>	19.678
(<r²>)^1/2	4.436

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)