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	hartrees
Energy at 0K	-204.751308
Energy at 298.15K	-204.759066
HF Energy	-204.117847
Nuclear repulsion energy	123.735419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3697	3470	13.06
2	A	3693	3466	19.22
3	A	3596	3375	12.05
4	A	3589	3369	18.92
5	A	3527	3311	4.61
6	A	1838	1725	256.62
7	A	1713	1608	145.82
8	A	1697	1593	32.79
9	A	1519	1426	107.45
10	A	1249	1172	24.45
11	A	1185	1112	61.91
12	A	1156	1085	15.00
13	A	968	909	3.66
14	A	889	835	78.22
15	A	835	784	348.30
16	A	738	692	196.76
17	A	616	578	159.50
18	A	551	517	14.27
19	A	487	457	0.17
20	A	407	382	32.65
21	A	369	347	37.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.125	-0.000
N2	-0.185	1.391	0.009
N3	-0.994	-0.878	0.086
N4	1.269	-0.417	-0.091
H5	-1.177	1.627	-0.035
H6	-1.935	-0.536	-0.064
H7	-0.795	-1.669	-0.516
H8	1.962	0.316	0.012
H9	1.426	-1.166	0.574

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2776	1.4023	1.3985	1.8981	2.0295	2.0221	1.9885	2.0198
N2	1.2776		2.4104	2.3221	1.0209	2.6046	3.1647	2.4010	3.0749
N3	1.4023	2.4104		2.3162	2.5143	1.0125	1.0140	3.1888	2.4856
N4	1.3985	2.3221	2.3162		3.1878	3.2064	2.4510	1.0137	1.0143
H5	1.8981	1.0209	2.5143	3.1878		2.2921	3.3531	3.4021	3.8663
H6	2.0295	2.6046	1.0125	3.2064	2.2921		1.6702	3.9899	3.4788
H7	2.0221	3.1647	1.0140	2.4510	3.3531	1.6702		3.4376	2.5241
H8	1.9885	2.4010	3.1888	1.0137	3.4021	3.9899	3.4376		1.6735
H9	2.0198	3.0749	2.4856	1.0143	3.8663	3.4788	2.5241	1.6735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.840	C1	N3	H6	113.387
C1	N3	H7	112.625	C1	N4	H8	110.025
C1	N4	H9	112.709	N2	C1	N3	128.103
N2	C1	N4	120.319	N3	C1	N4	111.575
H6	N3	H7	111.011	H8	N4	H9	111.215

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)