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	hartrees
Energy at 0K	-204.915304
Energy at 298.15K	-204.923041
HF Energy	-204.152612
Nuclear repulsion energy	124.205577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3534	18.26
2	A	3725	3529	24.20
3	A	3625	3434	14.51
4	A	3619	3428	23.08
5	A	3575	3386	2.55
6	A	1822	1725	260.47
7	A	1681	1592	120.06
8	A	1665	1577	33.37
9	A	1497	1418	107.07
10	A	1229	1165	20.56
11	A	1163	1102	67.77
12	A	1136	1076	12.34
13	A	961	910	5.16
14	A	870	824	59.01
15	A	819	776	225.58
16	A	708	670	175.02
17	A	612	579	189.41
18	A	548	519	14.64
19	A	482	457	0.10
20	A	405	384	17.73
21	A	363	344	44.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	0.126	0.000
N2	-0.234	1.379	0.008
N3	-0.961	-0.904	0.087
N4	1.279	-0.371	-0.092
H5	-1.231	1.574	-0.027
H6	-1.905	-0.598	-0.086
H7	-0.727	-1.697	-0.491
H8	1.948	0.373	0.040
H9	1.452	-1.136	0.544

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2718	1.3978	1.3948	1.8871	2.0208	2.0162	1.9846	2.0140
N2	1.2718		2.3981	2.3163	1.0157	2.5906	3.1557	2.4036	3.0753
N3	1.3978	2.3981		2.3103	2.4953	1.0075	1.0090	3.1779	2.4675
N4	1.3948	2.3163	2.3103		3.1759	3.1929	2.4384	1.0089	1.0092
H5	1.8871	1.0157	2.4953	3.1759		2.2748	3.3419	3.3986	3.8555
H6	2.0208	2.5906	1.0075	3.1929	2.2748		1.6617	3.9759	3.4584
H7	2.0162	3.1557	1.0090	2.4384	3.3419	1.6617		3.4243	2.4775
H8	1.9846	2.4036	3.1779	1.0089	3.3986	3.9759	3.4243		1.6659
H9	2.0140	3.0753	2.4675	1.0092	3.8555	3.4584	2.4775	1.6659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.683	C1	N3	H6	113.316
C1	N3	H7	112.801	C1	N4	H8	110.280
C1	N4	H9	112.831	N2	C1	N3	127.812
N2	C1	N4	120.535	N3	C1	N4	111.651
H6	N3	H7	110.989	H8	N4	H9	111.280

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)