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	hartrees
Energy at 0K	-204.793925
Energy at 298.15K	-204.801628
HF Energy	-204.116331
Nuclear repulsion energy	123.273966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3631	3524
2	A	3626	3520
3	A	3526	3422
4	A	3519	3416
5	A	3444	3343
6	A	1787	1734
7	A	1692	1643
8	A	1674	1625
9	A	1494	1450
10	A	1230	1194
11	A	1170	1136
12	A	1143	1110
13	A	949	921
14	A	882	857
15	A	823	799
16	A	735	714
17	A	604	586
18	A	538	522
19	A	478	464
20	A	401	389
21	A	361	350

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.125	-0.001
N2	-0.175	1.400	0.010
N3	-1.001	-0.877	0.088
N4	1.268	-0.428	-0.093
H5	-1.172	1.641	-0.039
H6	-1.943	-0.526	-0.065
H7	-0.806	-1.665	-0.528
H8	1.964	0.307	0.011
H9	1.420	-1.170	0.589

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2855	1.4065	1.4028	1.9057	2.0330	2.0250	1.9907	2.0223
N2	1.2855		2.4240	2.3318	1.0264	2.6157	3.1751	2.4028	3.0797
N3	1.4065	2.4240		2.3202	2.5270	1.0167	1.0183	3.1941	2.4892
N4	1.4028	2.3318	2.3202		3.1995	3.2125	2.4540	1.0179	1.0186
H5	1.9057	1.0264	2.5270	3.1995		2.3001	3.3611	3.4084	3.8741
H6	2.0330	2.6157	1.0167	3.2125	2.3001		1.6736	3.9958	3.4854
H7	2.0250	3.1751	1.0183	2.4540	3.3611	1.6736		3.4432	2.5393
H8	1.9907	2.4028	3.1941	1.0179	3.4084	3.9958	3.4432		1.6768
H9	2.0223	3.0797	2.4892	1.0186	3.8741	3.4854	2.5393	1.6768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.538	C1	N3	H6	113.078
C1	N3	H7	112.276	C1	N4	H8	109.621
C1	N4	H9	112.298	N2	C1	N3	128.383
N2	C1	N4	120.254	N3	C1	N4	111.358
H6	N3	H7	110.657	H8	N4	H9	110.842

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)