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	hartrees
Energy at 0K	-187.511103
Energy at 298.15K	-187.515211
HF Energy	-186.892983
Nuclear repulsion energy	100.969447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3662	3443	14.49
2	A	3576	3362	3.37
3	A	2442	2296	0.03
4	A	1667	1568	12.49
5	A	1245	1170	0.49
6	A	835	785	20.69
7	A	731	688	69.01
8	A	392	369	1.43
9	A	316	298	36.71
10	A	216	203	14.84
11	B	3662	3443	13.82
12	B	3577	3364	7.76
13	B	1666	1567	20.79
14	B	1351	1270	79.62
15	B	1244	1170	0.44
16	B	798	751	328.71
17	B	394	371	16.52
18	B	217	204	17.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.611	0.044
C2	-0.005	-0.611	0.044
N3	-0.005	1.973	-0.085
N4	0.005	-1.973	-0.085
H5	-0.308	2.458	0.753
H6	0.872	2.356	-0.424
H7	0.308	-2.458	0.753
H8	-0.872	-2.356	-0.424

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2215	1.3687	2.5873	2.0037	2.0039	3.1645	3.1284
C2	1.2215		2.5873	1.3687	3.1645	3.1284	2.0037	2.0039
N3	1.3687	2.5873		3.9468	1.0143	1.0145	4.5211	4.4282
N4	2.5873	1.3687	3.9468		4.5211	4.4282	1.0143	1.0145
H5	2.0037	3.1645	1.0143	4.5211		1.6693	4.9551	4.9880
H6	2.0039	3.1284	1.0145	4.4282	1.6693		4.9880	5.0237
H7	3.1645	2.0037	4.5211	1.0143	4.9551	4.9880		1.6693
H8	3.1284	2.0039	4.4282	1.0145	4.9880	5.0237	1.6693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.555	C1	N3	H5	113.618
C1	N3	H6	113.624	C2	C1	N3	174.555
C2	N4	H7	113.618	C2	N4	H8	113.624
H5	N3	H6	110.737	H7	N4	H8	110.737

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP3=FULL/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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All results from a given calculation for NH2CCNH2 (Diaminoacetylene)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)