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	hartrees
Energy at 0K	-204.998328
Energy at 298.15K	-205.006007
HF Energy	-204.209598
Nuclear repulsion energy	124.163613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3702	3515	21.97
2	A	3697	3511	28.88
3	A	3586	3405	12.81
4	A	3581	3401	26.03
5	A	3535	3357	5.31
6	A	1760	1671	244.31
7	A	1644	1561	126.81
8	A	1629	1546	27.41
9	A	1467	1393	106.34
10	A	1197	1137	20.72
11	A	1140	1083	74.47
12	A	1111	1055	13.60
13	A	949	901	8.16
14	A	829	787	46.19
15	A	781	742	187.96
16	A	677	643	169.50
17	A	592	562	217.53
18	A	538	511	14.69
19	A	476	452	0.09
20	A	412	392	13.80
21	A	358	340	43.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	0.123	-0.000
N2	-0.222	1.386	0.009
N3	-0.967	-0.897	0.085
N4	1.275	-0.379	-0.089
H5	-1.219	1.580	-0.034
H6	-1.910	-0.583	-0.075
H7	-0.742	-1.700	-0.483
H8	1.949	0.359	0.039
H9	1.445	-1.157	0.529

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2793	1.3950	1.3910	1.8878	2.0195	2.0189	1.9836	2.0156
N2	1.2793		2.4028	2.3163	1.0161	2.5945	3.1674	2.4025	3.0850
N3	1.3950	2.4028		2.3079	2.4932	1.0068	1.0084	3.1764	2.4665
N4	1.3910	2.3163	2.3079		3.1716	3.1917	2.4425	1.0082	1.0083
H5	1.8878	1.0161	2.4932	3.1716		2.2714	3.3450	3.3962	3.8608
H6	2.0195	2.5945	1.0068	3.1917	2.2714		1.6672	3.9748	3.4571
H7	2.0189	3.1674	1.0084	2.4425	3.3450	1.6672		3.4285	2.4693
H8	1.9836	2.4025	3.1764	1.0082	3.3962	3.9748	3.4285		1.6715
H9	2.0156	3.0850	2.4665	1.0083	3.8608	3.4571	2.4693	1.6715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.133	C1	N3	H6	113.465
C1	N3	H7	113.299	C1	N4	H8	110.519
C1	N4	H9	113.333	N2	C1	N3	127.866
N2	C1	N4	120.265	N3	C1	N4	111.866
H6	N3	H7	111.649	H8	N4	H9	111.970

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)