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	hartrees
Energy at 0K	-94.413711
Energy at 298.15K	-94.416639
HF Energy	-94.413711
Nuclear repulsion energy	32.261202

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'	3460	3412	4.31	125.38	0.49	0.66
2	A'	3167	3123	122.79	546.14	0.33	0.50
3	A'	2755	2717	163.96	154.54	0.59	0.74
4	A'	1706	1683	2.44	51.05	0.39	0.56
5	A'	1416	1397	24.61	10.15	0.71	0.83
6	A'	1322	1304	14.98	2.12	0.75	0.86
7	A'	1054	1040	42.77	31.15	0.52	0.68
8	A"	1128	1112	14.04	1.45	0.75	0.86
9	A"	909	896	246.69	2.38	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.803
N2	0.063	-0.532
H3	-1.028	1.112
H4	-0.747	-1.184
H5	0.961	-1.022

	C1	N2	H3	H4	H5
C1		1.3359	1.1332	2.1456	2.0349
N2	1.3359		1.9733	1.0388	1.0232
H3	1.1332	1.9733		2.3130	2.9174
H4	2.1456	1.0388	2.3130		1.7152
H5	2.0349	1.0232	2.9174	1.7152

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.817		C1	N2	H5	118.613
N2	C1	H3	105.814		H4	N2	H5	112.570

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBE/6-31G

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	-0.066
2	N	-0.651
3	H	0.081
4	H	0.293
5	H	0.343

	x	y	z	Total
	-1.180	-3.223	0.000	3.432
CHELPG
AIM
ESP

	x	y	z
x	2.891	-0.122	0.000
y	-0.122	4.116	0.000
z	0.000	0.000	1.337

<r²>	20.197
(<r²>)^1/2	4.494

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)