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	hartrees
Energy at 0K	-94.067848
Energy at 298.15K
HF Energy	-94.067848
Nuclear repulsion energy	32.748382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3170	11.06
2	A'	3161	3017	37.37
3	A'	3045	2907	44.35
4	A'	1715	1637	7.85
5	A'	1540	1470	2.90
6	A'	1374	1312	64.26
7	A'	1101	1051	52.02
8	A"	1193	1139	57.22
9	A"	1123	1072	25.82

Atom	x (Å)	y (Å)
C1	0.055	0.589
N2	0.055	-0.685
H3	-0.826	1.240
H4	1.011	1.110
H5	-0.899	-1.088

	C1	N2	H3	H4	H5
C1		1.2740	1.0956	1.0887	1.9295
N2	1.2740		2.1171	2.0336	1.0358
H3	1.0956	2.1171		1.8420	2.3291
H4	1.0887	2.0336	1.8420		2.9120
H5	1.9295	1.0358	2.3291	2.9120

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	112.898		N2	C1	H3	126.450
N2	C1	H4	118.577		H3	C1	H4	114.973

All results from a given calculation for CH₂NH (Methanimine)

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	-0.177
2	N	-0.510
3	H	0.188
4	H	0.223
5	H	0.276

	x	y	z	Total
	-1.569	1.288	0.000	2.030
CHELPG
AIM
ESP

	x	y	z
x	2.316	0.324	0.000
y	0.324	3.438	-0.000
z	0.000	-0.000	0.888

<r²>	19.621
(<r²>)^1/2	4.430

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)