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	hartrees
Energy at 0K	-204.765880
Energy at 298.15K	-204.773641
HF Energy	-204.118011
Nuclear repulsion energy	123.825584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3700	3472	13.38
2	A	3695	3467	19.54
3	A	3598	3376	12.29
4	A	3591	3370	19.21
5	A	3528	3310	4.51
6	A	1840	1727	259.21
7	A	1713	1608	146.89
8	A	1698	1593	32.83
9	A	1520	1426	107.67
10	A	1249	1172	24.63
11	A	1185	1112	62.45
12	A	1157	1086	14.75
13	A	970	910	4.18
14	A	889	834	74.87
15	A	835	783	344.51
16	A	735	690	198.60
17	A	617	579	166.02
18	A	552	518	14.45
19	A	488	458	0.18
20	A	407	382	32.56
21	A	370	348	36.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	0.125	0.000
N2	-0.220	1.387	0.009
N3	-0.971	-0.897	0.080
N4	1.276	-0.384	-0.086
H5	-1.212	1.613	-0.036
H6	-1.925	-0.590	-0.055
H7	-0.752	-1.710	-0.483
H8	1.961	0.355	0.013
H9	1.455	-1.158	0.542

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2770	1.3990	1.3947	1.9068	2.0360	2.0338	1.9938	2.0285
N2	1.2770		2.4051	2.3195	1.0191	2.6113	3.1798	2.4122	3.0923
N3	1.3990	2.4051		2.3108	2.5240	1.0112	1.0127	3.1889	2.4836
N4	1.3947	2.3195	2.3108		3.1906	3.2077	2.4546	1.0125	1.0130
H5	1.9068	1.0191	2.5240	3.1906		2.3151	3.3838	3.4136	3.8890
H6	2.0360	2.6113	1.0112	3.2077	2.3151		1.6777	3.9998	3.4792
H7	2.0338	3.1798	1.0127	2.4546	3.3838	1.6777		3.4447	2.4950
H8	1.9938	2.4122	3.1889	1.0125	3.4136	3.9998	3.4447		1.6805
H9	2.0285	3.0923	2.4836	1.0130	3.8890	3.4792	2.4950	1.6805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	111.804	C1	N3	H6	114.333
C1	N3	H7	114.026	C1	N4	H8	110.846
C1	N4	H9	113.876	N2	C1	N3	127.943
N2	C1	N4	120.433	N3	C1	N4	111.622
H6	N3	H7	111.989	H8	N4	H9	112.128

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)