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	hartrees
Energy at 0K	-204.779868
Energy at 298.15K	-204.787564
HF Energy	-204.115880
Nuclear repulsion energy	123.100634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3635	3470
2	A	3631	3467
3	A	3527	3368
4	A	3523	3363
5	A	3449	3293
6	A	1774	1694
7	A	1690	1614
8	A	1670	1595
9	A	1487	1419
10	A	1224	1169
11	A	1166	1113
12	A	1138	1087
13	A	943	901
14	A	880	840
15	A	817	781
16	A	734	701
17	A	601	574
18	A	534	510
19	A	476	455
20	A	402	384
21	A	364	347

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.125	-0.001
N2	-0.167	1.405	0.010
N3	-1.007	-0.874	0.088
N4	1.267	-0.436	-0.093
H5	-1.162	1.650	-0.041
H6	-1.947	-0.517	-0.066
H7	-0.815	-1.663	-0.527
H8	1.967	0.295	0.012
H9	1.414	-1.180	0.587

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2891	1.4086	1.4045	1.9073	2.0339	2.0269	1.9918	2.0240
N2	1.2891		2.4305	2.3357	1.0264	2.6210	3.1814	2.4048	3.0842
N3	1.4086	2.4305		2.3224	2.5323	1.0170	1.0184	3.1962	2.4905
N4	1.4045	2.3357	2.3224		3.2021	3.2142	2.4550	1.0180	1.0185
H5	1.9073	1.0264	2.5323	3.2021		2.3050	3.3661	3.4100	3.8778
H6	2.0339	2.6210	1.0170	3.2142	2.3050		1.6743	3.9975	3.4869
H7	2.0269	3.1814	1.0184	2.4550	3.3661	1.6743		3.4445	2.5388
H8	1.9918	2.4048	3.1962	1.0180	3.4100	3.9975	3.4445		1.6767
H9	2.0240	3.0842	2.4905	1.0185	3.8778	3.4869	2.5388	1.6767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.401	C1	N3	H6	112.975
C1	N3	H7	112.265	C1	N4	H8	109.579
C1	N4	H9	112.319	N2	C1	N3	128.515
N2	C1	N4	120.191	N3	C1	N4	111.288
H6	N3	H7	110.696	H8	N4	H9	110.831

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)