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	hartrees
Energy at 0K	-205.087938
Energy at 298.15K	-205.095594
HF Energy	-204.215177
Nuclear repulsion energy	124.572424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3706	3526	28.74
2	A	3699	3520	35.84
3	A	3599	3424	13.16
4	A	3594	3420	30.00
5	A	3549	3376	8.30
6	A	1757	1672	296.48
7	A	1652	1572	123.88
8	A	1638	1559	40.81
9	A	1468	1397	119.49
10	A	1196	1138	21.18
11	A	1135	1080	73.94
12	A	1107	1054	14.82
13	A	959	912	14.51
14	A	812	773	45.68
15	A	768	731	130.48
16	A	650	618	174.98
17	A	586	558	228.30
18	A	540	514	15.43
19	A	482	458	0.09
20	A	412	392	15.70
21	A	354	337	42.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	0.122	0.001
N2	-0.228	1.379	0.009
N3	-0.957	-0.900	0.082
N4	1.270	-0.373	-0.088
H5	-1.221	1.578	-0.042
H6	-1.903	-0.590	-0.061
H7	-0.732	-1.697	-0.490
H8	1.940	0.371	0.022
H9	1.450	-1.140	0.540

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2747	1.3881	1.3850	1.8876	2.0136	2.0135	1.9762	2.0107
N2	1.2747		2.3940	2.3075	1.0143	2.5866	3.1571	2.3907	3.0727
N3	1.3881	2.3940		2.2947	2.4943	1.0056	1.0069	3.1639	2.4617
N4	1.3850	2.3075	2.2947		3.1644	3.1805	2.4330	1.0074	1.0070
H5	1.8876	1.0143	2.4943	3.1644		2.2724	3.3411	3.3841	3.8543
H6	2.0136	2.5866	1.0056	3.1805	2.2724		1.6680	3.9621	3.4502
H7	2.0135	3.1571	1.0069	2.4330	3.3411	1.6680		3.4169	2.4757
H8	1.9762	2.3907	3.1639	1.0074	3.3841	3.9621	3.4169		1.6705
H9	2.0107	3.0727	2.4617	1.0070	3.8543	3.4502	2.4757	1.6705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.589	C1	N3	H6	113.574
C1	N3	H7	113.474	C1	N4	H8	110.393
C1	N4	H9	113.463	N2	C1	N3	128.016
N2	C1	N4	120.301	N3	C1	N4	111.681
H6	N3	H7	111.955	H8	N4	H9	112.041

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)