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	hartrees
Energy at 0K	-94.540889
Energy at 298.15K	-94.543800
HF Energy	-94.540889
Nuclear repulsion energy	32.854658

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'	3568	3431	11.73	96.19	0.58	0.73
2	A'	3408	3276	15.85	265.93	0.26	0.41
3	A'	2912	2799	110.35	123.14	0.44	0.61
4	A'	1686	1621	8.24	24.85	0.44	0.61
5	A'	1452	1396	11.94	8.64	0.37	0.54
6	A'	1392	1338	13.61	4.66	0.67	0.80
7	A'	1070	1028	24.41	9.41	0.51	0.68
8	A"	1161	1116	9.50	1.03	0.75	0.86
9	A"	804	773	147.57	0.86	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.522
H3	-1.012	1.082
H4	-0.748	-1.140
H5	0.945	-1.018

	C1	N2	H3	H4	H5
C1		1.3098	1.1141	2.0920	2.0106
N2	1.3098		1.9308	1.0200	1.0129
H3	1.1141	1.9308		2.2385	2.8713
H4	2.0920	1.0200	2.2385		1.6981
H5	2.0106	1.0129	2.8713	1.6981

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.339		C1	N2	H5	119.360
N2	C1	H3	105.323		H4	N2	H5	113.301

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.298
2	N	-0.363
3	H	0.107
4	H	0.265
5	H	0.289

	x	y	z	Total
	-1.125	-3.200	0.000	3.392
CHELPG
AIM
ESP

	x	y	z
x	2.864	-0.239	0.000
y	-0.239	3.790	0.000
z	0.000	0.000	1.751

<r²>	19.586
(<r²>)^1/2	4.426

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)