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	hartrees
Energy at 0K	-94.547367
Energy at 298.15K	-94.550261
HF Energy	-94.547367
Nuclear repulsion energy	32.456943

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'	3442	3424	20.39	64.21	0.70	0.82
2	A'	3213	3196	59.15	513.56	0.30	0.46
3	A'	2828	2813	123.23	170.07	0.70	0.82
4	A'	1656	1647	6.26	30.17	0.62	0.76
5	A'	1390	1383	26.81	18.16	0.29	0.44
6	A'	1340	1333	25.63	5.21	0.47	0.64
7	A'	1047	1041	27.69	13.67	0.54	0.70
8	A"	1126	1120	11.58	0.65	0.75	0.86
9	A"	796	792	171.98	0.35	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.799
N2	0.063	-0.529
H3	-1.016	1.097
H4	-0.757	-1.161
H5	0.956	-1.028

	C1	N2	H3	H4	H5
C1		1.3272	1.1194	2.1242	2.0337
N2	1.3272		1.9510	1.0353	1.0235
H3	1.1194	1.9510		2.2728	2.8993
H4	2.1242	1.0353	2.2728		1.7181
H5	2.0337	1.0235	2.8993	1.7181

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.648		C1	N2	H5	119.227
N2	C1	H3	105.455		H4	N2	H5	113.125

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: BLYP/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	-0.228
2	N	-0.435
3	H	0.080
4	H	0.269
5	H	0.315

	x	y	z	Total
	-1.438	-3.362	0.000	3.656
CHELPG
AIM
ESP

	x	y	z
x	3.524	0.136	0.000
y	0.136	4.992	0.000
z	0.000	0.000	2.583

<r²>	20.552
(<r²>)^1/2	4.533

All results from a given calculation for CHNH2 (aminomethylene)

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

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)