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	hartrees
Energy at 0K	-203.387902
Energy at 298.15K	-203.395485
HF Energy	-202.970905
Nuclear repulsion energy	122.355121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3657	3467	12.31
2	A	3638	3449	14.13
3	A	3531	3348	10.99
4	A	3513	3331	12.51
5	A	3361	3186	11.72
6	A	1751	1660	76.81
7	A	1717	1628	121.45
8	A	1692	1604	61.68
9	A	1443	1368	159.41
10	A	1204	1141	18.76
11	A	1158	1097	84.81
12	A	1115	1057	51.41
13	A	911	864	4.15
14	A	846	802	43.57
15	A	742	703	306.38
16	A	627	595	183.19
17	A	542	514	143.07
18	A	532	505	221.89
19	A	473	449	0.23
20	A	409	388	42.60
21	A	371	352	19.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	0.129	0.002
N2	-0.103	1.422	0.014
N3	-1.050	-0.832	0.055
N4	1.251	-0.489	-0.070
H5	-1.077	1.755	-0.068
H6	-2.002	-0.481	0.055
H7	-0.899	-1.680	-0.481
H8	2.004	0.195	-0.077
H9	1.393	-1.271	0.563

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2957	1.4118	1.4129	1.9422	2.0769	2.0701	2.0237	2.0651
N2	1.2957		2.4450	2.3433	1.0326	2.6886	3.2408	2.4398	3.1292
N3	1.4118	2.4450		2.3303	2.5902	1.0141	1.0149	3.2246	2.5343
N4	1.4129	2.3433	2.3303		3.2335	3.2555	2.4926	1.0165	1.0165
H5	1.9422	1.0326	2.5902	3.2335		2.4234	3.4650	3.4533	3.9571
H6	2.0769	2.6886	1.0141	3.2555	2.4234		1.7153	4.0643	3.5225
H7	2.0701	3.2408	1.0149	2.4926	3.4650	1.7153		3.4792	2.5521
H8	2.0237	2.4398	3.2246	1.0165	3.4533	4.0643	3.4792		1.7119
H9	2.0651	3.1292	2.5343	1.0165	3.9571	3.5225	2.5521	1.7119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	112.571	C1	N3	H6	116.822
C1	N3	H7	116.133	C1	N4	H8	111.783
C1	N4	H9	115.467	N2	C1	N3	129.079
N2	C1	N4	119.742	N3	C1	N4	111.179
H6	N3	H7	115.426	H8	N4	H9	114.724

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)