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	hartrees
Energy at 0K	-151.190546
Energy at 298.15K	-151.198527
HF Energy	-151.190546
Nuclear repulsion energy	83.261364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3555	3384	0.15
2	A₁	3092	2943	35.98
3	A₁	1682	1601	69.40
4	A₁	1494	1422	0.64
5	A₁	1096	1043	42.20
6	A₁	841	800	14.17
7	A₁	463	441	1.70
8	A₂	3656	3479	0.00
9	A₂	1404	1336	0.00
10	A₂	1072	1021	0.00
11	A₂	264	251	0.00
12	B₁	3654	3478	4.80
13	B₁	3143	2992	26.40
14	B₁	1372	1306	0.00
15	B₁	849	808	0.15
16	B₁	399	379	100.90
17	B₂	3556	3384	1.08
18	B₂	1672	1592	6.84
19	B₂	1399	1331	22.30
20	B₂	1105	1052	119.98
21	B₂	747	711	450.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.546
N2	0.000	1.257	-0.184
N3	0.000	-1.257	-0.184
H4	0.878	0.000	1.198
H5	-0.878	0.000	1.198
H6	0.820	1.350	-0.772
H7	-0.820	1.350	-0.772
H8	-0.820	-1.350	-0.772
H9	0.820	-1.350	-0.772

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4535	1.4535	1.0934	1.0934	2.0575	2.0575	2.0575	2.0575
N2	1.4535		2.5135	2.0640	2.0640	1.0133	1.0133	2.7954	2.7954
N3	1.4535	2.5135		2.0640	2.0640	2.7954	2.7954	1.0133	1.0133
H4	1.0934	2.0640	2.0640		1.7557	2.3890	2.9303	2.9303	2.3890
H5	1.0934	2.0640	2.0640	1.7557		2.9303	2.3890	2.3890	2.9303
H6	2.0575	1.0133	2.7954	2.3890	2.9303		1.6400	3.1594	2.7004
H7	2.0575	1.0133	2.7954	2.9303	2.3890	1.6400		2.7004	3.1594
H8	2.0575	2.7954	1.0133	2.9303	2.3890	3.1594	2.7004		1.6400
H9	2.0575	2.7954	1.0133	2.3890	2.9303	2.7004	3.1594	1.6400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.794	C1	N2	H7	111.794
C1	N3	H8	111.794	C1	N3	H9	111.794
N2	C1	N3	119.679	N2	C1	H4	107.428
N2	C1	H5	107.428	N3	C1	H4	107.428
N3	C1	H5	107.428	H4	C1	H5	106.816
H6	N2	H7	108.039	H8	N3	H9	108.039

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: mPW1PW91/6-31+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	-0.256
2	N	-0.624
3	N	-0.624
4	H	0.164
5	H	0.164
6	H	0.294
7	H	0.294
8	H	0.294
9	H	0.294

<r²>	54.097
(<r²>)^1/2	7.355

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)