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	hartrees
Energy at 0K	-94.494843
Energy at 298.15K	-94.497756
HF Energy	-94.494843
Nuclear repulsion energy	32.999538

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	23.03	90.23	0.67	0.80
2	A'	3427	3427	13.13	367.69	0.24	0.39
3	A'	2943	2943	92.59	168.65	0.48	0.65
4	A'	1688	1688	17.27	17.84	0.60	0.75
5	A'	1462	1462	12.08	9.29	0.21	0.34
6	A'	1385	1385	15.47	13.87	0.10	0.17
7	A'	1074	1074	24.12	12.28	0.23	0.38
8	A"	1159	1159	10.47	0.15	0.75	0.86
9	A"	814	814	145.80	0.36	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.521
H3	-0.999	1.094
H4	-0.758	-1.122
H5	0.943	-1.018

	C1	N2	H3	H4	H5
C1		1.3028	1.1069	2.0736	2.0034
N2	1.3028		1.9329	1.0175	1.0106
H3	1.1069	1.9329		2.2297	2.8691
H4	2.0736	1.0175	2.2297		1.7037
H5	2.0034	1.0106	2.8691	1.7037

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.240		C1	N2	H5	119.461
N2	C1	H3	106.390		H4	N2	H5	114.299

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/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	-1.047
2	N	-0.343
3	H	0.583
4	H	0.239
5	H	0.569

	x	y	z	Total
	-1.339	-3.241	0.000	3.506
CHELPG
AIM
ESP

	x	y	z
x	3.810	0.110	0.000
y	0.110	4.814	0.000
z	0.000	0.000	2.998

<r²>	19.916
(<r²>)^1/2	4.463

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)