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	hartrees
Energy at 0K	-204.778632
Energy at 298.15K	-204.786351
HF Energy	-204.137009
Nuclear repulsion energy	123.745210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3755	3517	16.30
2	A	3750	3512	22.49
3	A	3633	3402	11.46
4	A	3628	3397	20.98
5	A	3575	3348	4.15
6	A	1794	1680	213.76
7	A	1684	1577	141.36
8	A	1665	1559	27.62
9	A	1491	1396	107.22
10	A	1220	1143	17.96
11	A	1160	1086	71.75
12	A	1133	1061	12.01
13	A	959	899	5.54
14	A	862	807	58.61
15	A	800	749	315.92
16	A	709	664	186.82
17	A	602	563	171.06
18	A	540	505	14.36
19	A	480	449	0.07
20	A	414	387	19.36
21	A	372	348	38.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.124	-0.000
N2	-0.168	1.400	0.010
N3	-1.002	-0.869	0.085
N4	1.261	-0.430	-0.090
H5	-1.156	1.638	-0.042
H6	-1.938	-0.522	-0.063
H7	-0.807	-1.666	-0.506
H8	1.960	0.291	0.015
H9	1.408	-1.188	0.562

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2850	1.4004	1.3963	1.8953	2.0265	2.0198	1.9848	2.0171
N2	1.2850		2.4185	2.3239	1.0184	2.6139	3.1737	2.3991	3.0795
N3	1.4004	2.4185		2.3113	2.5153	1.0088	1.0102	3.1815	2.4769
N4	1.3963	2.3239	2.3113		3.1819	3.1999	2.4444	1.0101	1.0104
H5	1.8953	1.0184	2.5153	3.1819		2.2975	3.3545	3.3954	3.8636
H6	2.0265	2.6139	1.0088	3.1999	2.2975		1.6678	3.9822	3.4676
H7	2.0198	3.1737	1.0102	2.4444	3.3545	1.6678		3.4288	2.5046
H8	1.9848	2.3991	3.1815	1.0101	3.3954	3.9822	3.4288		1.6709
H9	2.0171	3.0795	2.4769	1.0104	3.8636	3.4676	2.5046	1.6709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.200	C1	N3	H6	113.531
C1	N3	H7	112.838	C1	N4	H8	110.097
C1	N4	H9	112.907	N2	C1	N3	128.431
N2	C1	N4	120.091	N3	C1	N4	111.473
H6	N3	H7	111.381	H8	N4	H9	111.583

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)