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	hartrees
Energy at 0K	-94.555530
Energy at 298.15K	-94.558446
HF Energy	-94.555530
Nuclear repulsion energy	32.782026

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'	3607	3453	24.20	78.75	0.70	0.83
2	A'	3461	3313	3.73	259.03	0.21	0.34
3	A'	2947	2821	98.47	157.91	0.47	0.64
4	A'	1693	1621	24.03	12.24	0.67	0.80
5	A'	1451	1389	16.97	11.76	0.18	0.30
6	A'	1386	1326	17.03	6.22	0.09	0.17
7	A'	1079	1033	21.06	6.74	0.30	0.46
8	A"	1148	1099	12.14	0.33	0.75	0.86
9	A"	808	773	155.27	0.19	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.525
H3	-1.009	1.098
H4	-0.761	-1.126
H5	0.947	-1.023

	C1	N2	H3	H4	H5
C1		1.3137	1.1157	2.0843	2.0150
N2	1.3137		1.9451	1.0198	1.0139
H3	1.1157	1.9451		2.2375	2.8844
H4	2.0843	1.0198	2.2375		1.7108
H5	2.0150	1.0139	2.8844	1.7108

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.084		C1	N2	H5	119.368
N2	C1	H3	106.098		H4	N2	H5	114.547

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/aug-cc-pVDZ

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	-0.013
2	N	0.187
3	H	-0.160
4	H	-0.046
5	H	0.032

	x	y	z	Total
	-1.378	-3.265	0.000	3.544
CHELPG
AIM
ESP

	x	y	z
x	3.732	0.049	0.000
y	0.049	4.682	0.000
z	0.000	0.000	2.940

<r²>	20.074
(<r²>)^1/2	4.480

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)