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	hartrees
Energy at 0K	-204.465478
Energy at 298.15K	-204.473086
HF Energy	-204.027437
Nuclear repulsion energy	122.451893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3727	3576	14.71
2	A	3715	3565	17.10
3	A	3600	3454	13.37
4	A	3588	3442	17.50
5	A	3434	3295	13.38
6	A	1779	1707	238.13
7	A	1723	1653	88.63
8	A	1713	1643	94.77
9	A	1495	1434	159.93
10	A	1214	1165	27.49
11	A	1168	1121	90.89
12	A	1135	1089	22.04
13	A	948	910	13.21
14	A	848	814	61.35
15	A	735	705	351.38
16	A	620	595	194.02
17	A	542	520	21.80
18	A	534	512	391.69
19	A	482	463	1.14
20	A	413	397	47.64
21	A	373	358	6.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	0.123	0.002
N2	-0.143	1.416	0.013
N3	-1.033	-0.850	0.044
N4	1.265	-0.451	-0.057
H5	-1.116	1.736	-0.072
H6	-1.990	-0.533	0.111
H7	-0.885	-1.706	-0.476
H8	2.015	0.227	-0.098
H9	1.437	-1.263	0.523

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2985	1.4090	1.4044	1.9541	2.0843	2.0808	2.0353	2.0745
N2	1.2985		2.4345	2.3392	1.0283	2.6871	3.2452	2.4657	3.1515
N3	1.4090	2.4345		2.3343	2.5902	1.0109	1.0117	3.2359	2.5500
N4	1.4044	2.3392	2.3343		3.2333	3.2606	2.5237	1.0126	1.0125
H5	1.9541	1.0283	2.5902	3.2333		2.4387	3.4730	3.4756	3.9837
H6	2.0843	2.6871	1.0109	3.2606	2.4387		1.7152	4.0823	3.5288
H7	2.0808	3.2452	1.0117	2.5237	3.4730	1.7152		3.5054	2.5662
H8	2.0353	2.4657	3.2359	1.0126	3.4756	4.0823	3.5054		1.7152
H9	2.0745	3.1515	2.5500	1.0125	3.9837	3.5288	2.5662	1.7152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	113.734	C1	N3	H6	117.992
C1	N3	H7	117.604	C1	N4	H8	113.736
C1	N4	H9	117.337	N2	C1	N3	128.051
N2	C1	N4	119.815	N3	C1	N4	112.134
H6	N3	H7	115.992	H8	N4	H9	115.765

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CCD/6-31G

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: CCD/6-31G

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)