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	hartrees
Energy at 0K	-151.049498
Energy at 298.15K	-151.057481
HF Energy	-151.049498
Nuclear repulsion energy	83.254925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3550	3391	0.13
2	A₁	3086	2948	34.99
3	A₁	1677	1602	69.88
4	A₁	1488	1421	0.65
5	A₁	1097	1048	40.90
6	A₁	841	804	14.19
7	A₁	464	443	1.67
8	A₂	3651	3488	0.00
9	A₂	1399	1337	0.00
10	A₂	1070	1022	0.00
11	A₂	265	253	0.00
12	B₁	3649	3486	5.21
13	B₁	3137	2997	25.52
14	B₁	1369	1308	0.00
15	B₁	847	809	0.14
16	B₁	400	382	100.63
17	B₂	3551	3392	1.21
18	B₂	1667	1593	6.85
19	B₂	1393	1330	22.58
20	B₂	1110	1061	120.56
21	B₂	746	713	448.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.545
N2	0.000	1.257	-0.184
N3	0.000	-1.257	-0.184
H4	0.879	0.000	1.198
H5	-0.879	0.000	1.198
H6	0.821	1.349	-0.773
H7	-0.821	1.349	-0.773
H8	-0.821	-1.349	-0.773
H9	0.821	-1.349	-0.773

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4529	1.4529	1.0949	1.0949	2.0570	2.0570	2.0570	2.0570
N2	1.4529		2.5130	2.0646	2.0646	1.0143	1.0143	2.7944	2.7944
N3	1.4529	2.5130		2.0646	2.0646	2.7944	2.7944	1.0143	1.0143
H4	1.0949	2.0646	2.0646		1.7577	2.3895	2.9316	2.9316	2.3895
H5	1.0949	2.0646	2.0646	1.7577		2.9316	2.3895	2.3895	2.9316
H6	2.0570	1.0143	2.7944	2.3895	2.9316		1.6412	3.1578	2.6978
H7	2.0570	1.0143	2.7944	2.9316	2.3895	1.6412		2.6978	3.1578
H8	2.0570	2.7944	1.0143	2.9316	2.3895	3.1578	2.6978		1.6412
H9	2.0570	2.7944	1.0143	2.3895	2.9316	2.6978	3.1578	1.6412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.735	C1	N2	H7	111.735
C1	N3	H8	111.735	C1	N3	H9	111.735
N2	C1	N3	119.729	N2	C1	H4	107.424
N2	C1	H5	107.424	N3	C1	H4	107.424
N3	C1	H5	107.424	H4	C1	H5	106.767
H6	N2	H7	107.996	H8	N3	H9	107.996

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: PBE1PBE/6-31+G**

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	-0.250
2	N	-0.628
3	N	-0.628
4	H	0.165
5	H	0.165
6	H	0.294
7	H	0.294
8	H	0.294
9	H	0.294

<r²>	54.123
(<r²>)^1/2	7.357

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)