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	hartrees
Energy at 0K	-151.141886
Energy at 298.15K	-151.149891
HF Energy	-151.141886
Nuclear repulsion energy	83.518295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3530	3380	0.59
2	A₁	3077	2946	40.76
3	A₁	1671	1600	35.77
4	A₁	1487	1425	0.15
5	A₁	1122	1075	31.37
6	A₁	875	838	0.56
7	A₁	454	435	4.48
8	A₂	3618	3465	0.00
9	A₂	1403	1344	0.00
10	A₂	1075	1029	0.00
11	A₂	262	251	0.00
12	B₁	3616	3463	0.17
13	B₁	3124	2992	24.94
14	B₁	1376	1317	0.30
15	B₁	849	813	0.18
16	B₁	395	379	85.22
17	B₂	3531	3381	0.00
18	B₂	1661	1590	3.13
19	B₂	1390	1332	21.54
20	B₂	1111	1064	66.05
21	B₂	803	769	391.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.550
N2	0.000	1.254	-0.183
N3	0.000	-1.254	-0.183
H4	0.877	0.000	1.203
H5	-0.877	0.000	1.203
H6	0.811	1.302	-0.788
H7	-0.811	1.302	-0.788
H8	-0.811	-1.302	-0.788
H9	0.811	-1.302	-0.788

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4524	1.4524	1.0928	1.0928	2.0354	2.0354	2.0354	2.0354
N2	1.4524		2.5077	2.0639	2.0639	1.0128	1.0128	2.7487	2.7487
N3	1.4524	2.5077		2.0639	2.0639	2.7487	2.7487	1.0128	1.0128
H4	1.0928	2.0639	2.0639		1.7535	2.3794	2.9162	2.9162	2.3794
H5	1.0928	2.0639	2.0639	1.7535		2.9162	2.3794	2.3794	2.9162
H6	2.0354	1.0128	2.7487	2.3794	2.9162		1.6212	3.0673	2.6039
H7	2.0354	1.0128	2.7487	2.9162	2.3794	1.6212		2.6039	3.0673
H8	2.0354	2.7487	1.0128	2.9162	2.3794	3.0673	2.6039		1.6212
H9	2.0354	2.7487	1.0128	2.3794	2.9162	2.6039	3.0673	1.6212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.037	C1	N2	H7	110.037
C1	N3	H8	110.037	C1	N3	H9	110.037
N2	C1	N3	119.379	N2	C1	H4	107.531
N2	C1	H5	107.531	N3	C1	H4	107.531
N3	C1	H5	107.531	H4	C1	H5	106.710
H6	N2	H7	106.332	H8	N3	H9	106.332

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.102
2	N	-0.534
3	N	-0.534
4	H	0.127
5	H	0.127
6	H	0.229
7	H	0.229
8	H	0.229
9	H	0.229

<r²>	53.031
(<r²>)^1/2	7.282

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)