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	hartrees
Energy at 0K	-205.000408
Energy at 298.15K	-205.008122
HF Energy	-204.199526
Nuclear repulsion energy	123.691960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3664	3503
2	A	3663	3501
3	A	3559	3402
4	A	3556	3399
5	A	3496	3343
6	A	1749	1672
7	A	1653	1581
8	A	1636	1564
9	A	1461	1397
10	A	1213	1160
11	A	1156	1105
12	A	1120	1071
13	A	936	895
14	A	857	819
15	A	806	771
16	A	728	696
17	A	592	566
18	A	538	514
19	A	481	460
20	A	406	388
21	A	361	345

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	0.126	-0.002
N2	-0.220	1.390	0.011
N3	-0.973	-0.900	0.086
N4	1.280	-0.387	-0.090
H5	-1.219	1.586	-0.043
H6	-1.920	-0.578	-0.059
H7	-0.758	-1.685	-0.516
H8	1.960	0.353	0.020
H9	1.446	-1.144	0.561

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2798	1.4041	1.3989	1.8905	2.0279	2.0221	1.9923	2.0191
N2	1.2798		2.4118	2.3273	1.0195	2.6013	3.1654	2.4147	3.0824
N3	1.4041	2.4118		2.3173	2.5016	1.0103	1.0121	3.1906	2.4775
N4	1.3989	2.3273	2.3173		3.1841	3.2053	2.4531	1.0112	1.0121
H5	1.8905	1.0195	2.5016	3.1841		2.2748	3.3368	3.4109	3.8631
H6	2.0279	2.6013	1.0103	3.2053	2.2748		1.6682	3.9910	3.4690
H7	2.0221	3.1654	1.0121	2.4531	3.3368	1.6682		3.4392	2.5117
H8	1.9923	2.4147	3.1906	1.0112	3.4109	3.9910	3.4392		1.6726
H9	2.0191	3.0824	2.4775	1.0121	3.8631	3.4690	2.5117	1.6726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.096	C1	N3	H6	113.253
C1	N3	H7	112.617	C1	N4	H8	110.481
C1	N4	H9	112.766	N2	C1	N3	127.889
N2	C1	N4	120.579	N3	C1	N4	111.523
H6	N3	H7	111.143	H8	N4	H9	111.519

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CCSD(T)=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)