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	hartrees
Energy at 0K	-203.352288
Energy at 298.15K	-203.359922
HF Energy	-202.973811
Nuclear repulsion energy	123.262537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3732	3477	15.32
2	A	3712	3458	16.96
3	A	3615	3368	13.38
4	A	3594	3348	14.77
5	A	3461	3224	8.62
6	A	1806	1682	206.30
7	A	1754	1634	59.19
8	A	1741	1622	89.48
9	A	1485	1383	181.66
10	A	1236	1152	30.67
11	A	1182	1101	88.04
12	A	1138	1060	45.11
13	A	940	876	9.58
14	A	873	813	67.70
15	A	759	707	266.78
16	A	625	583	221.75
17	A	554	516	17.46
18	A	517	482	360.08
19	A	485	452	3.68
20	A	407	379	56.84
21	A	376	350	28.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	0.130	0.002
N2	-0.167	1.400	0.013
N3	-1.010	-0.863	0.048
N4	1.266	-0.430	-0.065
H5	-1.143	1.703	-0.060
H6	-1.972	-0.564	0.066
H7	-0.822	-1.717	-0.455
H8	1.995	0.269	-0.077
H9	1.439	-1.222	0.538

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2787	1.4025	1.4037	1.9336	2.0731	2.0648	2.0213	2.0599
N2	1.2787		2.4151	2.3250	1.0244	2.6687	3.2195	2.4411	3.1193
N3	1.4025	2.4151		2.3189	2.5715	1.0081	1.0090	3.2133	2.5225
N4	1.4037	2.3250	2.3189		3.2168	3.2434	2.4836	1.0103	1.0109
H5	1.9336	1.0244	2.5715	3.2168		2.4177	3.4576	3.4496	3.9469
H6	2.0731	2.6687	1.0081	3.2434	2.4177		1.7096	4.0565	3.5059
H7	2.0648	3.2195	1.0090	2.4836	3.4576	1.7096		3.4677	2.5183
H8	2.0213	2.4411	3.2133	1.0103	3.4496	4.0565	3.4677		1.7065
H9	2.0599	3.1193	2.5225	1.0109	3.9469	3.5059	2.5183	1.7065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	113.726	C1	N3	H6	117.702
C1	N3	H7	116.848	C1	N4	H8	112.700
C1	N4	H9	116.159	N2	C1	N3	128.454
N2	C1	N4	120.095	N3	C1	N4	111.451
H6	N3	H7	115.896	H8	N4	H9	115.199

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CID/3-21G

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 CH5N3 (Guanidine)

using model chemistry: CID/3-21G

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)