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	hartrees
Energy at 0K	-94.592442
Energy at 298.15K	-94.595352
HF Energy	-94.592442
Nuclear repulsion energy	32.668521

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'	3523	3523	16.39	97.38	0.68	0.81
2	A'	3345	3345	27.54	442.34	0.26	0.41
3	A'	2905	2905	118.87	184.82	0.52	0.69
4	A'	1684	1684	12.28	21.01	0.60	0.75
5	A'	1423	1423	17.61	14.90	0.13	0.23
6	A'	1373	1373	11.76	13.54	0.17	0.29
7	A'	1056	1056	24.15	15.28	0.25	0.39
8	A"	1147	1147	10.35	0.24	0.75	0.86
9	A"	804	804	143.82	0.47	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.792
N2	0.063	-0.527
H3	-1.011	1.099
H4	-0.759	-1.139
H5	0.950	-1.025

	C1	N2	H3	H4	H5
C1		1.3183	1.1174	2.0985	2.0211
N2	1.3183		1.9484	1.0253	1.0169
H3	1.1174	1.9484		2.2519	2.8904
H4	2.0985	1.0253	2.2519		1.7128
H5	2.0211	1.0169	2.8904	1.7128

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.674		C1	N2	H5	119.322
N2	C1	H3	105.954		H4	N2	H5	114.004

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/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	-0.037
2	N	0.227
3	H	-0.232
4	H	0.050
5	H	-0.008

	x	y	z	Total
	-1.288	-3.225	0.000	3.472
CHELPG
AIM
ESP

	x	y	z
x	3.950	0.136	0.000
y	0.136	5.020	0.000
z	0.000	0.000	3.042

<r²>	20.187
(<r²>)^1/2	4.493

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)