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	hartrees
Energy at 0K	-204.902322
Energy at 298.15K	-204.909943
HF Energy	-204.164919
Nuclear repulsion energy	122.816438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3636	3531
2	A	3632	3527
3	A	3524	3422
4	A	3520	3419
5	A	3467	3367
6	A	1728	1679
7	A	1633	1586
8	A	1616	1569
9	A	1451	1410
10	A	1193	1158
11	A	1141	1108
12	A	1108	1076
13	A	928	901
14	A	822	798
15	A	771	749
16	A	675	655
17	A	583	566
18	A	526	511
19	A	471	457
20	A	393	381
21	A	350	340

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	0.123	0.000
N2	-0.217	1.402	0.009
N3	-0.982	-0.905	0.086
N4	1.287	-0.392	-0.090
H5	-1.222	1.607	-0.040
H6	-1.933	-0.575	-0.055
H7	-0.770	-1.694	-0.522
H8	1.972	0.351	0.026
H9	1.454	-1.159	0.559

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2937	1.4115	1.4066	1.9104	2.0387	2.0348	2.0041	2.0313
N2	1.2937		2.4314	2.3432	1.0266	2.6188	3.1893	2.4284	3.1073
N3	1.4115	2.4314		2.3323	2.5265	1.0169	1.0188	3.2104	2.4938
N4	1.4066	2.3432	2.3323		3.2082	3.2253	2.4719	1.0180	1.0187
H5	1.9104	1.0266	2.5265	3.2082		2.2953	3.3664	3.4326	3.8950
H6	2.0387	2.6188	1.0169	3.2253	2.2953		1.6802	4.0146	3.4913
H7	2.0348	3.1893	1.0188	2.4719	3.3664	1.6802		3.4645	2.5296
H8	2.0041	2.4284	3.2104	1.0180	3.4326	4.0146	3.4645		1.6837
H9	2.0313	3.1073	2.4938	1.0187	3.8950	3.4913	2.5296	1.6837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.314	C1	N3	H6	113.184
C1	N3	H7	112.708	C1	N4	H8	110.469
C1	N4	H9	112.785	N2	C1	N3	127.947
N2	C1	N4	120.339	N3	C1	N4	111.711
H6	N3	H7	111.259	H8	N4	H9	111.512

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CCSD(T)=FULL/aug-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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)