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	hartrees
Energy at 0K	-94.628368
Energy at 298.15K
HF Energy	-94.628368
Nuclear repulsion energy	33.031673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3317	0.48
2	A'	3111	2991	35.59
3	A'	3016	2900	51.57
4	A'	1724	1658	21.87
5	A'	1488	1431	6.00
6	A'	1367	1314	45.38
7	A'	1069	1028	37.34
8	A"	1169	1124	45.29
9	A"	1100	1057	16.41

Atom	x (Å)	y (Å)
C1	0.056	0.581
N2	0.056	-0.681
H3	-0.841	1.210
H4	1.012	1.109
H5	-0.898	-1.043

	C1	N2	H3	H4	H5
C1		1.2621	1.0957	1.0913	1.8839
N2	1.2621		2.0929	2.0284	1.0208
H3	1.0957	2.0929		1.8557	2.2538
H4	1.0913	2.0284	1.8557		2.8769
H5	1.8839	1.0208	2.2538	2.8769

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.786		N2	C1	H3	125.020
N2	C1	H4	118.880		H3	C1	H4	116.100

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3PW91/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	-0.069
2	N	-0.234
3	H	0.062
4	H	0.101
5	H	0.140

	x	y	z	Total
	-1.349	1.399	0.000	1.943
CHELPG
AIM
ESP

	x	y	z
x	2.901	0.202	-0.000
y	0.202	3.990	-0.004
z	-0.000	-0.004	1.901

<r²>	19.462
(<r²>)^1/2	4.412

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)