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	hartrees
Energy at 0K	-204.467386
Energy at 298.15K	-204.474803
HF Energy	-204.060782
Nuclear repulsion energy	121.169345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3740	3602	22.91
2	A	3733	3595	26.60
3	A	3595	3462	17.97
4	A	3588	3455	32.60
5	A	3450	3323	15.17
6	A	1721	1658	148.53
7	A	1689	1627	177.36
8	A	1659	1598	113.41
9	A	1442	1389	184.51
10	A	1169	1126	7.38
11	A	1122	1080	127.11
12	A	1095	1055	22.34
13	A	915	882	11.62
14	A	809	779	70.06
15	A	691	666	255.43
16	A	585	563	243.86
17	A	507	489	19.99
18	A	484	466	288.76
19	A	455	438	79.86
20	A	404	390	71.65
21	A	365	352	15.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	0.124	0.002
N2	-0.149	1.438	0.015
N3	-1.040	-0.864	0.037
N4	1.277	-0.450	-0.052
H5	-1.125	1.763	-0.083
H6	-2.005	-0.559	0.120
H7	-0.877	-1.744	-0.443
H8	2.037	0.224	-0.093
H9	1.447	-1.298	0.483

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.3206	1.4237	1.4152	1.9809	2.1068	2.1053	2.0572	2.0961
N2	1.3206		2.4683	2.3669	1.0336	2.7284	3.2968	2.5028	3.2018
N3	1.4237	2.4683		2.3552	2.6308	1.0151	1.0163	3.2663	2.5639
N4	1.4152	2.3669	2.3552		3.2662	3.2880	2.5433	1.0169	1.0165
H5	1.9809	1.0336	2.6308	3.2662		2.4914	3.5346	3.5169	4.0381
H6	2.1068	2.7284	1.0151	3.2880	2.4914		1.7301	4.1227	3.5489
H7	2.1053	3.2968	1.0163	2.5433	3.5346	1.7301		3.5342	2.5414
H8	2.0572	2.5028	3.2663	1.0169	3.5169	4.1227	3.5342		1.7309
H9	2.0961	3.2018	2.5639	1.0165	4.0381	3.5489	2.5414	1.7309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	114.029	C1	N3	H6	118.546
C1	N3	H7	118.309	C1	N4	H8	114.534
C1	N4	H9	118.157	N2	C1	N3	128.122
N2	C1	N4	119.759	N3	C1	N4	112.119
H6	N3	H7	116.786	H8	N4	H9	116.695

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)