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	hartrees
Energy at 0K	-205.005702
Energy at 298.15K	-205.013355
HF Energy	-204.218901
Nuclear repulsion energy	124.209984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3708	3528	24.91
2	A	3704	3524	32.40
3	A	3592	3417	12.74
4	A	3588	3414	30.15
5	A	3543	3371	6.13
6	A	1754	1668	262.32
7	A	1644	1565	124.86
8	A	1629	1550	30.90
9	A	1464	1393	111.08
10	A	1195	1137	20.53
11	A	1137	1082	74.64
12	A	1108	1055	14.46
13	A	950	904	9.82
14	A	820	781	47.15
15	A	773	736	172.75
16	A	667	634	174.34
17	A	588	560	227.72
18	A	539	513	15.07
19	A	478	455	0.08
20	A	415	394	13.76
21	A	356	338	44.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	0.124	0.001
N2	-0.262	1.378	0.009
N3	-0.941	-0.921	0.078
N4	1.283	-0.345	-0.085
H5	-1.257	1.566	-0.040
H6	-1.897	-0.642	-0.058
H7	-0.695	-1.732	-0.466
H8	1.946	0.406	0.025
H9	1.481	-1.127	0.518

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2764	1.3935	1.3897	1.8983	2.0261	2.0290	1.9888	2.0232
N2	1.2764		2.3983	2.3158	1.0138	2.6000	3.1761	2.4127	3.0936
N3	1.3935	2.3983		2.3026	2.5099	1.0057	1.0074	3.1774	2.4695
N4	1.3897	2.3158	2.3026		3.1785	3.1939	2.4454	1.0075	1.0074
H5	1.8983	1.0138	2.5099	3.1785		2.2992	3.3730	3.4073	3.8804
H6	2.0261	2.6000	1.0057	3.1939	2.2992		1.6736	3.9844	3.4608
H7	2.0290	3.1761	1.0074	2.4454	3.3730	1.6736		3.4328	2.4631
H8	1.9888	2.4127	3.1774	1.0075	3.4073	3.9844	3.4328		1.6758
H9	2.0232	3.0936	2.4695	1.0074	3.8804	3.4608	2.4631	1.6758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	111.456	C1	N3	H6	114.266
C1	N3	H7	114.410	C1	N4	H8	111.113
C1	N4	H9	114.178	N2	C1	N3	127.812
N2	C1	N4	120.536	N3	C1	N4	111.650
H6	N3	H7	112.480	H8	N4	H9	112.548

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)