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	hartrees
Energy at 0K	-94.540326
Energy at 298.15K	-94.543243
HF Energy	-94.540326
Nuclear repulsion energy	32.860068

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'	3591	3440	22.18	94.49	0.70	0.82
2	A'	3430	3286	11.37	351.90	0.23	0.38
3	A'	2949	2825	101.10	171.84	0.50	0.67
4	A'	1688	1617	18.69	16.49	0.62	0.77
5	A'	1456	1395	12.78	10.37	0.21	0.35
6	A'	1379	1321	15.82	9.27	0.13	0.23
7	A'	1068	1023	22.47	10.22	0.30	0.46
8	A"	1152	1103	11.46	0.43	0.75	0.86
9	A"	819	785	148.73	0.39	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.786
N2	0.063	-0.523
H3	-1.008	1.093
H4	-0.758	-1.128
H5	0.945	-1.020

	C1	N2	H3	H4	H5
C1		1.3094	1.1142	2.0825	2.0104
N2	1.3094		1.9392	1.0194	1.0126
H3	1.1142	1.9392		2.2352	2.8779
H4	2.0825	1.0194	2.2352		1.7064
H5	2.0104	1.0126	2.8779	1.7064

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.371		C1	N2	H5	119.398
N2	C1	H3	106.004		H4	N2	H5	114.231

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/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	0.043
2	N	0.216
3	H	-0.197
4	H	-0.071
5	H	0.010

	x	y	z	Total
	-1.311	-3.239	0.000	3.494
CHELPG
AIM
ESP

	x	y	z
x	3.758	0.080	0.000
y	0.080	4.757	0.000
z	0.000	0.000	2.869

<r²>	20.020
(<r²>)^1/2	4.474

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)