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	hartrees
Energy at 0K	-38.069775
Energy at 298.15K	-38.077478
HF Energy	-37.443892
Nuclear repulsion energy	69.560392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3667	3493	12.21
2	A	3663	3490	18.34
3	A	3550	3382	6.36
4	A	3546	3379	18.51
5	A	3500	3335	7.39
6	A	1751	1668	184.60
7	A	1697	1617	164.46
8	A	1666	1587	62.54
9	A	1467	1398	109.84
10	A	1220	1162	24.67
11	A	1159	1104	56.12
12	A	1131	1078	28.66
13	A	931	887	1.74
14	A	882	840	125.21
15	A	815	776	326.19
16	A	736	701	171.42
17	A	594	566	136.82
18	A	528	503	15.36
19	A	473	450	0.26
20	A	406	387	30.72
21	A	366	349	36.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	0.126	-0.002
N2	-0.154	1.413	0.011
N3	-1.019	-0.870	0.089
N4	1.268	-0.450	-0.093
H5	-1.148	1.660	-0.046
H6	-1.954	-0.502	-0.063
H7	-0.831	-1.654	-0.532
H8	1.972	0.277	0.015
H9	1.400	-1.194	0.588

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2951	1.4158	1.4105	1.9066	2.0378	2.0278	1.9945	2.0240
N2	1.2951		2.4428	2.3463	1.0250	2.6298	3.1880	2.4113	3.0898
N3	1.4158	2.4428		2.3324	2.5369	1.0161	1.0177	3.2041	2.4908
N4	1.4105	2.3463	2.3324		3.2075	3.2227	2.4594	1.0172	1.0177
H5	1.9066	1.0250	2.5369	3.2075		2.3082	3.3647	3.4133	3.8778
H6	2.0378	2.6298	1.0161	3.2227	2.3082		1.6758	4.0036	3.4857
H7	2.0278	3.1880	1.0177	2.4594	3.3647	1.6758		3.4472	2.5379
H8	1.9945	2.4113	3.2041	1.0172	3.4133	4.0036	3.4472		1.6789
H9	2.0240	3.0898	2.4908	1.0177	3.8778	3.4857	2.5379	1.6789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	109.985	C1	N3	H6	112.811
C1	N3	H7	111.833	C1	N4	H8	109.414
C1	N4	H9	111.910	N2	C1	N3	128.554
N2	C1	N4	120.208	N3	C1	N4	111.228
H6	N3	H7	110.961	H8	N4	H9	111.193

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)