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	hartrees
Energy at 0K	-204.669372
Energy at 298.15K	-204.677192
HF Energy	-204.119248
Nuclear repulsion energy	124.400828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3785	3497	18.65
2	A	3779	3491	25.48
3	A	3681	3400	13.12
4	A	3673	3392	27.61
5	A	3627	3350	3.01
6	A	1876	1733	313.24
7	A	1750	1616	154.95
8	A	1733	1601	36.01
9	A	1550	1432	118.84
10	A	1272	1175	27.73
11	A	1204	1112	66.19
12	A	1176	1086	14.89
13	A	991	916	7.72
14	A	895	827	63.54
15	A	852	787	344.43
16	A	732	676	198.13
17	A	628	580	193.87
18	A	565	522	15.89
19	A	499	461	0.24
20	A	416	384	29.05
21	A	379	350	45.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.124	-0.000
N2	-0.203	1.381	0.009
N3	-0.979	-0.883	0.082
N4	1.268	-0.397	-0.088
H5	-1.190	1.610	-0.032
H6	-1.922	-0.562	-0.058
H7	-0.771	-1.682	-0.495
H8	1.954	0.334	0.011
H9	1.437	-1.155	0.554

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2700	1.3939	1.3906	1.8920	2.0247	2.0188	1.9838	2.0159
N2	1.2700		2.3936	2.3095	1.0136	2.5949	3.1557	2.3982	3.0694
N3	1.3939	2.3936		2.3048	2.5037	1.0062	1.0076	3.1763	2.4771
N4	1.3906	2.3095	2.3048		3.1733	3.1946	2.4445	1.0075	1.0080
H5	1.8920	1.0136	2.5037	3.1733		2.2918	3.3505	3.3934	3.8588
H6	2.0247	2.5949	1.0062	3.1946	2.2918		1.6648	3.9794	3.4662
H7	2.0188	3.1557	1.0076	2.4445	3.3505	1.6648		3.4277	2.5014
H8	1.9838	2.3982	3.1763	1.0075	3.3934	3.9794	3.4277		1.6676
H9	2.0159	3.0694	2.4771	1.0080	3.8588	3.4662	2.5014	1.6676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	111.396	C1	N3	H6	114.065
C1	N3	H7	113.430	C1	N4	H8	110.623
C1	N4	H9	113.420	N2	C1	N3	127.869
N2	C1	N4	120.396	N3	C1	N4	111.733
H6	N3	H7	111.517	H8	N4	H9	111.662

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)