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	hartrees
Energy at 0K	-187.991122
Energy at 298.15K	-187.994645
HF Energy	-187.991122
Nuclear repulsion energy	100.927709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3505	3486	21.99
2	A	3421	3403	0.46
3	A	2274	2262	0.23
4	A	1610	1602	8.58
5	A	1148	1142	0.30
6	A	804	800	1.57
7	A	466	463	177.21
8	A	434	432	1.31
9	A	362	360	10.33
10	A	120	119	24.36
11	B	3504	3485	20.76
12	B	3425	3407	1.10
13	B	1612	1603	21.25
14	B	1340	1333	133.84
15	B	1147	1141	0.30
16	B	520	517	304.68
17	B	362	360	13.64
18	B	123	123	25.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.008	0.613	0.022
C2	-0.008	-0.613	0.022
N3	-0.008	1.980	-0.062
N4	0.008	-1.980	-0.062
H5	-0.360	2.480	0.755
H6	0.830	2.419	-0.448
H7	0.360	-2.480	0.755
H8	-0.830	-2.419	-0.448

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2266	1.3696	2.5948	2.0389	2.0388	3.1984	3.1804
C2	1.2266		2.5948	1.3696	3.1984	3.1804	2.0389	2.0388
N3	1.3696	2.5948		3.9604	1.0207	1.0210	4.5492	4.4917
N4	2.5948	1.3696	3.9604		4.5492	4.4917	1.0207	1.0210
H5	2.0389	3.1984	1.0207	4.5492		1.6929	5.0118	5.0661
H6	2.0388	3.1804	1.0210	4.4917	1.6929		5.0661	5.1144
H7	3.1984	2.0389	4.5492	1.0207	5.0118	5.0661		1.6929
H8	3.1804	2.0388	4.4917	1.0210	5.0661	5.1144	1.6929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	176.240	C1	N3	H5	116.320
C1	N3	H6	116.288	C2	C1	N3	176.240
C2	N4	H7	116.320	C2	N4	H8	116.288
H5	N3	H6	112.034	H7	N4	H8	112.034

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: BLYP/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	0.177
2	C	0.177
3	N	-0.765
4	N	-0.765
5	H	0.293
6	H	0.296
7	H	0.293
8	H	0.296

	x	y	z	Total
	0.000	0.000	1.358	1.358
CHELPG
AIM
ESP

	x	y	z
x	4.124	0.343	0.000
y	0.343	10.659	0.000
z	0.000	0.000	4.094

<r²>	99.518
(<r²>)^1/2	9.976

All results from a given calculation for NH2CCNH2 (Diaminoacetylene)

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

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)