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	hartrees
Energy at 0K	-204.746465
Energy at 298.15K	-204.754327
HF Energy	-204.168921
Nuclear repulsion energy	124.623413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3811	3526	12.85
2	A	3806	3521	18.63
3	A	3710	3433	8.90
4	A	3703	3426	20.75
5	A	3656	3383	4.66
6	A	1862	1723	311.81
7	A	1773	1640	162.88
8	A	1753	1622	46.68
9	A	1545	1430	119.20
10	A	1278	1182	33.52
11	A	1208	1118	57.88
12	A	1179	1091	26.05
13	A	984	911	8.34
14	A	897	830	69.64
15	A	864	799	316.18
16	A	742	687	193.09
17	A	635	588	196.99
18	A	567	525	17.77
19	A	499	462	0.21
20	A	422	391	30.73
21	A	381	353	43.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.125	-0.000
N2	-0.208	1.378	0.009
N3	-0.976	-0.884	0.080
N4	1.269	-0.393	-0.086
H5	-1.190	1.604	-0.033
H6	-1.916	-0.568	-0.051
H7	-0.765	-1.679	-0.494
H8	1.951	0.335	0.008
H9	1.436	-1.150	0.550

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2673	1.3935	1.3899	1.8870	2.0213	2.0137	1.9804	2.0111
N2	1.2673		2.3901	2.3075	1.0087	2.5903	3.1477	2.3975	3.0640
N3	1.3935	2.3901		2.3036	2.4999	1.0010	1.0024	3.1714	2.4716
N4	1.3899	2.3075	2.3036		3.1677	3.1902	2.4407	1.0019	1.0028
H5	1.8870	1.0087	2.4999	3.1677		2.2901	3.3420	3.3877	3.8500
H6	2.0213	2.5903	1.0010	3.1902	2.2901		1.6602	3.9718	3.4554
H7	2.0137	3.1477	1.0024	2.4407	3.3420	1.6602		3.4182	2.4926
H8	1.9804	2.3975	3.1714	1.0019	3.3877	3.9718	3.4182		1.6628
H9	2.0111	3.0640	2.4716	1.0028	3.8500	3.4554	2.4926	1.6628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	111.510	C1	N3	H6	114.164
C1	N3	H7	113.380	C1	N4	H8	110.746
C1	N4	H9	113.406	N2	C1	N3	127.802
N2	C1	N4	120.478	N3	C1	N4	111.718
H6	N3	H7	111.929	H8	N4	H9	112.091

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)