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	hartrees
Energy at 0K	-204.807758
Energy at 298.15K	-204.815492
HF Energy	-204.145195
Nuclear repulsion energy	123.323922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3674	3515	9.60
2	A	3671	3512	14.62
3	A	3571	3416	7.71
4	A	3566	3412	11.10
5	A	3510	3358	3.97
6	A	1821	1743	239.00
7	A	1661	1589	112.29
8	A	1644	1573	22.54
9	A	1490	1426	91.38
10	A	1231	1177	21.20
11	A	1172	1121	54.22
12	A	1141	1092	17.91
13	A	953	912	3.55
14	A	888	850	76.46
15	A	843	807	253.75
16	A	746	714	162.31
17	A	604	578	134.11
18	A	541	518	13.53
19	A	478	458	0.30
20	A	388	371	25.10
21	A	354	339	43.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	0.126	-0.000
N2	-0.213	1.392	0.007
N3	-0.981	-0.900	0.096
N4	1.283	-0.396	-0.099
H5	-1.222	1.584	-0.021
H6	-1.920	-0.563	-0.107
H7	-0.756	-1.673	-0.529
H8	1.956	0.354	0.045
H9	1.438	-1.133	0.588

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2808	1.4095	1.4063	1.8903	2.0246	2.0147	1.9891	2.0136
N2	1.2808		2.4186	2.3341	1.0269	2.5977	3.1587	2.4054	3.0726
N3	1.4095	2.4186		2.3272	2.4985	1.0178	1.0196	3.1941	2.4790
N4	1.4063	2.3341	2.3272		3.1940	3.2069	2.4433	1.0187	1.0199
H5	1.8903	1.0269	2.4985	3.1940		2.2598	3.3297	3.4084	3.8507
H6	2.0246	2.5977	1.0178	3.2069	2.2598		1.6629	3.9861	3.4756
H7	2.0147	3.1587	1.0196	2.4433	3.3297	1.6629		3.4342	2.5198
H8	1.9891	2.4054	3.1941	1.0187	3.4084	3.9861	3.4342		1.6666
H9	2.0136	3.0726	2.4790	1.0199	3.8507	3.4756	2.5198	1.6666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	109.500	C1	N3	H6	112.030
C1	N3	H7	111.060	C1	N4	H8	109.173
C1	N4	H9	111.183	N2	C1	N3	127.990
N2	C1	N4	120.528	N3	C1	N4	111.478
H6	N3	H7	109.412	H8	N4	H9	109.669

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)