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	hartrees
Energy at 0K	-94.532538
Energy at 298.15K	-94.535433
HF Energy	-94.532538
Nuclear repulsion energy	32.575275

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'	3462	3462	12.19	105.35	0.68	0.81
2	A'	3255	3255	59.66	591.36	0.29	0.44
3	A'	2846	2846	121.54	202.70	0.59	0.75
4	A'	1648	1648	7.22	28.18	0.57	0.73
5	A'	1397	1397	13.72	12.92	0.14	0.24
6	A'	1337	1337	11.76	17.43	0.26	0.41
7	A'	1045	1045	27.43	20.82	0.31	0.48
8	A"	1126	1126	10.85	0.50	0.75	0.86
9	A"	787	787	139.34	0.79	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.794
N2	0.063	-0.527
H3	-1.017	1.101
H4	-0.759	-1.147
H5	0.952	-1.027

	C1	N2	H3	H4	H5
C1		1.3212	1.1231	2.1079	2.0258
N2	1.3212		1.9539	1.0296	1.0194
H3	1.1231	1.9539		2.2626	2.8988
H4	2.1079	1.0296	2.2626		1.7152
H5	2.0258	1.0194	2.8988	1.7152

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.006		C1	N2	H5	119.327
N2	C1	H3	105.858		H4	N2	H5	113.667

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/aug-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	0.011
2	N	0.244
3	H	-0.194
4	H	-0.074
5	H	0.012

	x	y	z	Total
	-1.258	-3.192	0.000	3.431
CHELPG
AIM
ESP

	x	y	z
x	4.032	0.208	0.000
y	0.208	5.216	0.000
z	0.000	0.000	3.015

<r²>	20.320
(<r²>)^1/2	4.508

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)