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	hartrees
Energy at 0K	-94.015674
Energy at 298.15K	-94.018621
HF Energy	-94.015674
Nuclear repulsion energy	32.536322

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'	3520	3360	12.16	101.45	0.54	0.70
2	A'	3325	3175	22.64	290.96	0.30	0.46
3	A'	2828	2700	142.65	124.23	0.47	0.64
4	A'	1759	1679	8.95	32.30	0.43	0.60
5	A'	1452	1386	33.03	11.52	0.73	0.85
6	A'	1363	1301	10.97	2.87	0.24	0.39
7	A'	1096	1046	29.65	13.26	0.62	0.77
8	A"	1168	1115	12.06	0.82	0.75	0.86
9	A"	918	877	256.42	1.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.796
N2	0.062	-0.529
H3	-1.016	1.104
H4	-0.750	-1.158
H5	0.954	-1.020

	C1	N2	H3	H4	H5
C1		1.3249	1.1216	2.1161	2.0231
N2	1.3249		1.9567	1.0277	1.0181
H3	1.1216	1.9567		2.2771	2.8970
H4	2.1161	1.0277	2.2771		1.7102
H5	2.0231	1.0181	2.8970	1.7102

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.733		C1	N2	H5	118.834
N2	C1	H3	105.921		H4	N2	H5	113.432

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/3-21G

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	-0.077
2	N	-0.724
3	H	0.140
4	H	0.313
5	H	0.348

	x	y	z	Total
	-1.326	-3.291	0.000	3.548
CHELPG
AIM
ESP

	x	y	z
x	2.498	-0.298	0.000
y	-0.298	3.413	0.000
z	0.000	0.000	1.194

<r²>	19.865
(<r²>)^1/2	4.457

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)