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	hartrees
Energy at 0K	-94.580917
Energy at 298.15K	-94.583814
HF Energy	-94.580917
Nuclear repulsion energy	32.621292

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'	3503	3406	12.02	109.41	0.59	0.74
2	A'	3309	3217	33.87	365.19	0.29	0.44
3	A'	2882	2802	141.23	175.47	0.47	0.64
4	A'	1664	1618	5.27	27.44	0.46	0.63
5	A'	1430	1391	13.85	9.66	0.45	0.62
6	A'	1377	1339	11.62	2.82	0.51	0.68
7	A'	1049	1020	25.18	11.75	0.48	0.65
8	A"	1158	1126	11.36	1.17	0.75	0.86
9	A"	775	753	143.13	1.13	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.793
N2	0.063	-0.525
H3	-1.020	1.090
H4	-0.755	-1.152
H5	0.953	-1.025

	C1	N2	H3	H4	H5
C1		1.3177	1.1227	2.1097	2.0246
N2	1.3177		1.9442	1.0305	1.0214
H3	1.1227	1.9442		2.2576	2.8928
H4	2.1097	1.0305	2.2576		1.7127
H5	2.0246	1.0214	2.8928	1.7127

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.486		C1	N2	H5	119.350
N2	C1	H3	105.351		H4	N2	H5	113.164

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/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	-0.214
2	N	-0.032
3	H	0.027
4	H	0.092
5	H	0.127

	x	y	z	Total
	-1.194	-3.248	0.000	3.461
CHELPG
AIM
ESP

	x	y	z
x	2.933	-0.203	0.000
y	-0.203	3.896	0.000
z	0.000	0.000	1.600

<r²>	19.849
(<r²>)^1/2	4.455

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)