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	hartrees
Energy at 0K	-204.928449
Energy at 298.15K	-204.936165
HF Energy	-204.152637
Nuclear repulsion energy	124.375358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3518	24.39
2	A	3736	3511	31.08
3	A	3625	3407	17.64
4	A	3618	3401	28.65
5	A	3580	3364	3.18
6	A	1787	1679	223.85
7	A	1662	1562	123.01
8	A	1646	1547	36.55
9	A	1483	1394	108.38
10	A	1207	1134	15.24
11	A	1142	1073	77.06
12	A	1119	1052	11.69
13	A	962	904	6.04
14	A	849	798	46.85
15	A	803	755	204.34
16	A	687	646	169.05
17	A	604	568	222.23
18	A	542	510	15.32
19	A	479	450	0.10
20	A	415	390	15.52
21	A	372	350	41.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	0.123	0.000
N2	-0.226	1.383	0.009
N3	-0.961	-0.899	0.084
N4	1.272	-0.376	-0.090
H5	-1.220	1.583	-0.037
H6	-1.907	-0.594	-0.076
H7	-0.731	-1.701	-0.482
H8	1.944	0.366	0.035
H9	1.447	-1.147	0.536

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2762	1.3914	1.3888	1.8897	2.0191	2.0163	1.9800	2.0137
N2	1.2762		2.3990	2.3120	1.0154	2.5968	3.1637	2.3961	3.0781
N3	1.3914	2.3990		2.2998	2.4993	1.0068	1.0083	3.1685	2.4622
N4	1.3888	2.3120	2.2998		3.1703	3.1861	2.4333	1.0084	1.0084
H5	1.8897	1.0154	2.4993	3.1703		2.2839	3.3507	3.3907	3.8594
H6	2.0191	2.5968	1.0068	3.1861	2.2839		1.6652	3.9699	3.4536
H7	2.0163	3.1637	1.0083	2.4333	3.3507	1.6652		3.4195	2.4669
H8	1.9800	2.3961	3.1685	1.0084	3.3907	3.9699	3.4195		1.6689
H9	2.0137	3.0781	2.4622	1.0084	3.8594	3.4536	2.4669	1.6689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.583	C1	N3	H6	113.723
C1	N3	H7	113.371	C1	N4	H8	110.363
C1	N4	H9	113.330	N2	C1	N3	128.083
N2	C1	N4	120.287	N3	C1	N4	111.628
H6	N3	H7	111.465	H8	N4	H9	111.689

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)