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	hartrees
Energy at 0K	-94.459444
Energy at 298.15K	-94.462343
HF Energy	-94.459444
Nuclear repulsion energy	32.544796

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'	3468	3428	21.70	67.55	0.70	0.82
2	A'	3243	3206	55.82	508.13	0.30	0.46
3	A'	2848	2815	115.36	164.66	0.69	0.82
4	A'	1654	1635	6.17	30.69	0.61	0.76
5	A'	1410	1394	15.12	13.80	0.34	0.51
6	A'	1345	1329	35.24	7.71	0.31	0.47
7	A'	1046	1034	28.60	13.71	0.55	0.71
8	A"	1131	1118	12.16	0.77	0.75	0.86
9	A"	810	801	172.10	0.40	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.796
N2	0.063	-0.526
H3	-1.018	1.092
H4	-0.755	-1.159
H5	0.956	-1.024

	C1	N2	H3	H4	H5
C1		1.3217	1.1205	2.1191	2.0273
N2	1.3217		1.9456	1.0344	1.0230
H3	1.1205	1.9456		2.2664	2.8939
H4	2.1191	1.0344	2.2664		1.7169
H5	2.0273	1.0230	2.8939	1.7169

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.748		C1	N2	H5	119.133
N2	C1	H3	105.329		H4	N2	H5	113.119

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBE/6-31+G**

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	-0.260
2	N	-0.442
3	H	0.095
4	H	0.281
5	H	0.327

	x	y	z	Total
	-1.443	-3.414	0.000	3.706
CHELPG
AIM
ESP

	x	y	z
x	3.486	0.129	0.000
y	0.129	4.921	0.000
z	0.000	0.000	2.519

<r²>	20.404
(<r²>)^1/2	4.517

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)