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	hartrees
Energy at 0K	-204.791613
Energy at 298.15K	-204.799326
HF Energy	-204.144962
Nuclear repulsion energy	123.338192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3684	3502	14.15
2	A	3681	3498	20.10
3	A	3569	3392	9.35
4	A	3565	3388	15.66
5	A	3512	3338	3.29
6	A	1782	1694	205.65
7	A	1642	1560	117.92
8	A	1624	1544	23.93
9	A	1473	1400	92.56
10	A	1210	1150	16.95
11	A	1152	1095	65.94
12	A	1127	1071	13.86
13	A	951	904	5.12
14	A	867	824	72.76
15	A	817	777	250.42
16	A	727	691	157.97
17	A	598	568	151.10
18	A	534	508	13.39
19	A	476	452	0.49
20	A	399	379	18.53
21	A	362	344	43.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	0.124	-0.000
N2	-0.194	1.400	0.008
N3	-0.989	-0.890	0.095
N4	1.274	-0.411	-0.099
H5	-1.200	1.602	-0.030
H6	-1.925	-0.545	-0.103
H7	-0.771	-1.671	-0.522
H8	1.954	0.333	0.045
H9	1.422	-1.156	0.580

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2878	1.4059	1.4024	1.8920	2.0230	2.0146	1.9848	2.0130
N2	1.2878		2.4248	2.3333	1.0267	2.6063	3.1688	2.3990	3.0774
N3	1.4059	2.4248		2.3206	2.5034	1.0172	1.0190	3.1871	2.4736
N4	1.4024	2.3333	2.3206		3.1899	3.2019	2.4389	1.0184	1.0190
H5	1.8920	1.0267	2.5034	3.1899		2.2676	3.3369	3.4008	3.8539
H6	2.0230	2.6063	1.0172	3.2019	2.2676		1.6654	3.9805	3.4706
H7	2.0146	3.1688	1.0190	2.4389	3.3369	1.6654		3.4300	2.5085
H8	1.9848	2.3990	3.1871	1.0184	3.4008	3.9805	3.4300		1.6689
H9	2.0130	3.0774	2.4736	1.0190	3.8539	3.4706	2.5085	1.6689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	109.145	C1	N3	H6	112.214
C1	N3	H7	111.364	C1	N4	H8	109.121
C1	N4	H9	111.482	N2	C1	N3	128.310
N2	C1	N4	120.239	N3	C1	N4	111.447
H6	N3	H7	109.751	H8	N4	H9	109.999

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)