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	hartrees
Energy at 0K	-94.595557
Energy at 298.15K
HF Energy	-94.595557
Nuclear repulsion energy	32.934112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3476	3476	0.90
2	A'	3160	3160	29.87
3	A'	3051	3051	47.13
4	A'	1734	1734	24.30
5	A'	1482	1482	6.40
6	A'	1366	1366	39.40
7	A'	1068	1068	33.38
8	A"	1163	1163	46.13
9	A"	1105	1105	15.01

Atom	x (Å)	y (Å)
C1	0.056	0.584
N2	0.056	-0.683
H3	-0.848	1.207
H4	1.016	1.110
H5	-0.901	-1.041

	C1	N2	H3	H4	H5
C1		1.2669	1.0985	1.0942	1.8859
N2	1.2669		2.0956	2.0334	1.0224
H3	1.0985	2.0956		1.8665	2.2487
H4	1.0942	2.0334	1.8665		2.8811
H5	1.8859	1.0224	2.2487	2.8811

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.480		N2	C1	H3	124.584
N2	C1	H4	118.725		H3	C1	H4	116.691

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B1B95/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	0.858
2	N	0.189
3	H	-0.537
4	H	-0.463
5	H	-0.047

	x	y	z	Total
	-1.354	1.491	0.000	2.014
CHELPG
AIM
ESP

	x	y	z
x	3.296	0.113	0.000
y	0.113	4.343	0.000
z	0.000	0.000	2.545

<r²>	19.654
(<r²>)^1/2	4.433

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B1B95/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)