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	hartrees
Energy at 0K	-204.809384
Energy at 298.15K	-204.817106
HF Energy	-204.137080
Nuclear repulsion energy	123.686722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3740	3521	10.87
2	A	3736	3517	16.21
3	A	3629	3416	8.65
4	A	3623	3411	14.51
5	A	3563	3354	5.63
6	A	1804	1699	235.17
7	A	1697	1597	134.08
8	A	1678	1579	28.28
9	A	1502	1414	104.89
10	A	1233	1161	25.36
11	A	1176	1107	62.20
12	A	1144	1077	14.96
13	A	957	901	3.66
14	A	872	821	64.25
15	A	816	768	319.42
16	A	720	678	187.81
17	A	603	567	154.45
18	A	542	510	13.67
19	A	481	452	0.07
20	A	403	380	23.11
21	A	365	344	38.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.125	-0.000
N2	-0.188	1.395	0.009
N3	-0.992	-0.882	0.086
N4	1.270	-0.414	-0.091
H5	-1.180	1.621	-0.035
H6	-1.930	-0.544	-0.068
H7	-0.788	-1.671	-0.510
H8	1.960	0.315	0.017
H9	1.424	-1.164	0.568

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2820	1.4033	1.3995	1.8947	2.0268	2.0194	1.9872	2.0166
N2	1.2820		2.4161	2.3265	1.0181	2.6081	3.1677	2.4042	3.0768
N3	1.4033	2.4161		2.3169	2.5126	1.0087	1.0103	3.1862	2.4805
N4	1.3995	2.3265	2.3169		3.1858	3.2030	2.4475	1.0098	1.0106
H5	1.8947	1.0181	2.5126	3.1858		2.2915	3.3494	3.4008	3.8609
H6	2.0268	2.6081	1.0087	3.2030	2.2915		1.6648	3.9847	3.4703
H7	2.0194	3.1677	1.0103	2.4475	3.3494	1.6648		3.4311	2.5126
H8	1.9872	2.4042	3.1862	1.0098	3.4008	3.9847	3.4311		1.6678
H9	2.0166	3.0768	2.4805	1.0106	3.8609	3.4703	2.5126	1.6678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.393	C1	N3	H6	113.330
C1	N3	H7	112.568	C1	N4	H8	110.079
C1	N4	H9	112.598	N2	C1	N3	128.193
N2	C1	N4	120.296	N3	C1	N4	111.508
H6	N3	H7	111.090	H8	N4	H9	111.273

All results from a given calculation for CH₅N₃ (Guanidine)

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

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)