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	hartrees
Energy at 0K	-201.705953
Energy at 298.15K	-201.713212
HF Energy	-201.477185
Nuclear repulsion energy	118.868332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3831	3405	1.47
2	A	3828	3403	0.91
3	A	3636	3232	4.53
4	A	3633	3229	0.78
5	A	3557	3162	19.82
6	A	1876	1668	1.36
7	A	1859	1652	23.27
8	A	1782	1584	31.22
9	A	1580	1405	55.00
10	A	1339	1190	0.37
11	A	1291	1148	19.38
12	A	1245	1106	14.00
13	A	1068	949	76.85
14	A	966	859	164.42
15	A	919	817	65.05
16	A	842	748	84.52
17	A	539	479	55.54
18	A	494	439	9.79
19	A	434	386	4.77
20	A	330	294	75.17
21	A	281	250	21.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.130	-0.001
N2	-0.061	1.457	0.006
N3	-1.125	-0.829	0.124
N4	1.289	-0.549	-0.126
H5	-1.109	1.690	0.013
H6	-1.986	-0.363	-0.268
H7	-0.919	-1.620	-0.541
H8	2.009	0.191	0.088
H9	1.354	-1.228	0.680

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.3277	1.4744	1.4730	1.9069	2.0518	2.0437	2.0236	2.0426
N2	1.3277		2.5240	2.4215	1.0730	2.6628	3.2406	2.4274	3.1086
N3	1.4744	2.5240		2.4432	2.5216	1.0545	1.0539	3.2958	2.5716
N4	1.4730	2.4215	2.4432		3.2835	3.2832	2.4891	1.0541	1.0553
H5	1.9069	1.0730	2.5216	3.2835		2.2502	3.3614	3.4596	3.8759
H6	2.0518	2.6628	1.0545	3.2832	2.2502		1.6711	4.0483	3.5777
H7	2.0437	3.2406	1.0539	2.4891	3.3614	1.6711		3.4996	2.6096
H8	2.0236	2.4274	3.2958	1.0541	3.4596	4.0483	3.4996		1.6713
H9	2.0426	3.1086	2.5716	1.0553	3.8759	3.5777	2.6096	1.6713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	104.678	C1	N3	H6	107.288
C1	N3	H7	106.688	C1	N4	H8	105.202
C1	N4	H9	106.614	N2	C1	N3	128.435
N2	C1	N4	119.579	N3	C1	N4	111.980
H6	N3	H7	104.857	H8	N4	H9	104.802

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)