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	hartrees
Energy at 0K	-204.745710
Energy at 298.15K	-204.753448
HF Energy	-204.117331
Nuclear repulsion energy	123.636209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3477	17.53
2	A	3685	3472	24.26
3	A	3576	3369	12.71
4	A	3570	3364	23.96
5	A	3513	3310	3.87
6	A	1799	1695	212.24
7	A	1697	1599	146.91
8	A	1680	1582	33.26
9	A	1499	1413	110.81
10	A	1229	1158	19.39
11	A	1166	1099	71.90
12	A	1143	1077	12.79
13	A	961	906	4.31
14	A	873	823	77.53
15	A	814	767	343.11
16	A	723	681	190.76
17	A	612	576	170.29
18	A	543	512	14.68
19	A	484	456	0.13
20	A	415	391	24.99
21	A	376	354	36.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.123	-0.000
N2	-0.166	1.399	0.011
N3	-1.002	-0.868	0.084
N4	1.260	-0.433	-0.090
H5	-1.155	1.649	-0.044
H6	-1.944	-0.519	-0.055
H7	-0.813	-1.666	-0.513
H8	1.962	0.293	0.008
H9	1.412	-1.188	0.571

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2844	1.4001	1.3961	1.9037	2.0310	2.0248	1.9874	2.0223
N2	1.2844		2.4181	2.3232	1.0224	2.6164	3.1769	2.3982	3.0814
N3	1.4001	2.4181		2.3104	2.5252	1.0136	1.0150	3.1852	2.4836
N4	1.3961	2.3232	2.3104		3.1889	3.2048	2.4492	1.0150	1.0151
H5	1.9037	1.0224	2.5252	3.1889		2.3069	3.3660	3.4003	3.8753
H6	2.0310	2.6164	1.0136	3.2048	2.3069		1.6747	3.9902	3.4785
H7	2.0248	3.1769	1.0150	2.4492	3.3660	1.6747		3.4374	2.5211
H8	1.9874	2.3982	3.1852	1.0150	3.4003	3.9902	3.4374		1.6776
H9	2.0223	3.0814	2.4836	1.0151	3.8753	3.4785	2.5211	1.6776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.714	C1	N3	H6	113.622
C1	N3	H7	112.973	C1	N4	H8	110.026
C1	N4	H9	113.050	N2	C1	N3	128.469
N2	C1	N4	120.098	N3	C1	N4	111.429
H6	N3	H7	111.285	H8	N4	H9	111.448

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)