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	hartrees
Energy at 0K	-94.491103
Energy at 298.15K	-94.494017
HF Energy	-94.388787
Nuclear repulsion energy	32.696178

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'	3586	3586	26.75	87.67	0.69	0.82
2	A'	3423	3423	6.60	336.62	0.22	0.36
3	A'	2955	2955	102.44	167.63	0.46	0.63
4	A'	1690	1690	17.79	14.61	0.64	0.78
5	A'	1429	1429	16.98	16.29	0.13	0.23
6	A'	1383	1383	12.45	7.52	0.16	0.28
7	A'	1071	1071	21.52	10.58	0.24	0.39
8	A"	1150	1150	10.57	0.30	0.75	0.86
9	A"	805	805	148.48	0.21	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.791
N2	0.063	-0.528
H3	-1.008	1.099
H4	-0.762	-1.130
H5	0.948	-1.025

	C1	N2	H3	H4	H5
C1		1.3192	1.1143	2.0910	2.0199
N2	1.3192		1.9479	1.0214	1.0144
H3	1.1143	1.9479		2.2429	2.8870
H4	2.0910	1.0214	2.2429		1.7125
H5	2.0199	1.0144	2.8870	1.7125

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.132		C1	N2	H5	119.331
N2	C1	H3	106.046		H4	N2	H5	114.537

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP/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	0.113
2	N	0.295
3	H	-0.345
4	H	-0.028
5	H	-0.036

	x	y	z	Total
	-1.335	-3.245	0.000	3.509
CHELPG
AIM
ESP

	x	y	z
x	3.862	0.083	0.003
y	0.083	4.879	0.002
z	0.003	0.002	3.060

<r²>	20.274
(<r²>)^1/2	4.503

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)