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	hartrees
Energy at 0K	-94.562351
Energy at 298.15K	-94.565270
HF Energy	-94.562351
Nuclear repulsion energy	33.047369

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'	3580	3431	21.87	90.85	0.68	0.81
2	A'	3429	3286	12.55	360.27	0.24	0.39
3	A'	2946	2823	97.00	169.31	0.50	0.66
4	A'	1692	1622	17.40	17.52	0.60	0.75
5	A'	1459	1399	13.17	9.67	0.20	0.34
6	A'	1387	1330	15.33	12.11	0.11	0.21
7	A'	1073	1028	22.96	11.30	0.26	0.41
8	A"	1161	1112	10.31	0.18	0.75	0.86
9	A"	819	785	144.58	0.36	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.781
N2	0.063	-0.520
H3	-0.997	1.092
H4	-0.756	-1.121
H5	0.940	-1.018

	C1	N2	H3	H4	H5
C1		1.3015	1.1039	2.0710	2.0017
N2	1.3015		1.9292	1.0153	1.0085
H3	1.1039	1.9292		2.2265	2.8640
H4	2.0710	1.0153	2.2265		1.6986
H5	2.0017	1.0085	2.8640	1.6986

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.297		C1	N2	H5	119.569
N2	C1	H3	106.358		H4	N2	H5	114.134

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/aug-cc-pVTZ

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	-0.594
2	N	-0.118
3	H	0.351
4	H	0.155
5	H	0.206

	x	y	z	Total
	-1.321	-3.232	0.000	3.492
CHELPG
AIM
ESP

	x	y	z
x	3.768	0.104	0.000
y	0.104	4.767	0.000
z	0.000	0.000	2.945

<r²>	19.861
(<r²>)^1/2	4.457

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)