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	hartrees
Energy at 0K	-204.449743
Energy at 298.15K	-204.457348
HF Energy	-204.026909
Nuclear repulsion energy	122.278393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3555	19.32
2	A	3733	3547	22.79
3	A	3605	3425	14.62
4	A	3596	3417	25.12
5	A	3442	3270	12.40
6	A	1757	1670	159.42
7	A	1718	1632	152.43
8	A	1698	1613	75.47
9	A	1482	1408	167.29
10	A	1199	1140	15.28
11	A	1157	1099	106.79
12	A	1125	1068	22.90
13	A	944	897	11.48
14	A	826	784	44.91
15	A	728	692	354.10
16	A	620	589	187.64
17	A	539	512	24.21
18	A	530	504	379.14
19	A	482	458	1.26
20	A	422	401	45.20
21	A	383	364	6.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.122	0.002
N2	-0.107	1.426	0.015
N3	-1.052	-0.829	0.041
N4	1.253	-0.480	-0.055
H5	-1.074	1.764	-0.080
H6	-2.002	-0.492	0.117
H7	-0.924	-1.695	-0.466
H8	2.017	0.182	-0.100
H9	1.410	-1.304	0.511

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.3075	1.4086	1.4031	1.9570	2.0840	2.0847	2.0337	2.0775
N2	1.3075		2.4449	2.3424	1.0289	2.6976	3.2610	2.4638	3.1617
N3	1.4086	2.4449		2.3331	2.5961	1.0106	1.0114	3.2343	2.5508
N4	1.4031	2.3424	2.3331		3.2330	3.2590	2.5258	1.0123	1.0118
H5	1.9570	1.0289	2.5961	3.2330		2.4472	3.4835	3.4723	3.9913
H6	2.0840	2.6976	1.0106	3.2590	2.4472		1.7172	4.0805	3.5288
H7	2.0847	3.2610	1.0114	2.5258	3.4835	1.7172		3.5075	2.5597
H8	2.0337	2.4638	3.2343	1.0123	3.4723	4.0805	3.5075		1.7176
H9	2.0775	3.1617	2.5508	1.0118	3.9913	3.5288	2.5597	1.7176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	113.241	C1	N3	H6	118.025
C1	N3	H7	118.034	C1	N4	H8	113.718
C1	N4	H9	117.786	N2	C1	N3	128.315
N2	C1	N4	119.532	N3	C1	N4	112.153
H6	N3	H7	116.271	H8	N4	H9	116.118

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2=FULL/6-31G

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/6-31G

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)