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	hartrees
Energy at 0K	-94.562302
Energy at 298.15K	-94.565218
HF Energy	-94.562302
Nuclear repulsion energy	32.830055

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'	3589	3589	22.17	91.26	0.69	0.82
2	A'	3429	3429	12.36	351.39	0.24	0.38
3	A'	2953	2953	100.10	169.18	0.48	0.65
4	A'	1689	1689	18.27	16.48	0.62	0.77
5	A'	1455	1455	13.09	10.51	0.19	0.32
6	A'	1379	1379	15.42	11.87	0.09	0.16
7	A'	1070	1070	23.52	11.63	0.24	0.38
8	A"	1151	1151	10.75	0.20	0.75	0.86
9	A"	811	811	147.33	0.31	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.524
H3	-1.007	1.098
H4	-0.759	-1.129
H5	0.946	-1.021

	C1	N2	H3	H4	H5
C1		1.3106	1.1145	2.0842	2.0119
N2	1.3106		1.9430	1.0203	1.0134
H3	1.1145	1.9430		2.2403	2.8818
H4	2.0842	1.0203	2.2403		1.7082
H5	2.0119	1.0134	2.8818	1.7082

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.346		C1	N2	H5	119.382
N2	C1	H3	106.211		H4	N2	H5	114.273

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/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	-0.024
2	N	0.225
3	H	-0.235
4	H	0.040
5	H	-0.006

	x	y	z	Total
	-1.329	-3.224	0.000	3.488
CHELPG
AIM
ESP

	x	y	z
x	3.822	0.095	0.000
y	0.095	4.828	0.000
z	0.000	0.000	3.000

<r²>	20.042
(<r²>)^1/2	4.477

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)