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	hartrees
Energy at 0K	-94.540717
Energy at 298.15K	-94.543635
HF Energy	-94.540717
Nuclear repulsion energy	32.863773

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'	3590	3590	22.73	93.90	0.70	0.82
2	A'	3429	3429	11.49	359.58	0.24	0.38
3	A'	2947	2947	102.90	173.30	0.48	0.65
4	A'	1686	1686	18.63	16.78	0.62	0.77
5	A'	1456	1456	12.84	10.43	0.20	0.34
6	A'	1378	1378	15.68	13.03	0.09	0.16
7	A'	1068	1068	22.43	11.65	0.23	0.38
8	A"	1151	1151	10.59	0.22	0.75	0.86
9	A"	818	818	145.61	0.35	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.786
N2	0.063	-0.523
H3	-1.007	1.093
H4	-0.758	-1.128
H5	0.945	-1.020

	C1	N2	H3	H4	H5
C1		1.3093	1.1136	2.0824	2.0102
N2	1.3093		1.9389	1.0193	1.0125
H3	1.1136	1.9389		2.2351	2.8775
H4	2.0824	1.0193	2.2351		1.7063
H5	2.0102	1.0125	2.8775	1.7063

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.370		C1	N2	H5	119.395
N2	C1	H3	106.018		H4	N2	H5	114.235

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/daug-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	0.091
2	N	0.275
3	H	-0.312
4	H	-0.017
5	H	-0.037

	x	y	z	Total
	-1.307	-3.236	0.000	3.490
CHELPG
AIM
ESP

	x	y	z
x	3.839	0.092	0.000
y	0.092	4.825	0.000
z	0.000	0.000	2.989

<r²>	20.016
(<r²>)^1/2	4.474

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)