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	hartrees
Energy at 0K	-204.841029
Energy at 298.15K	-204.848815
HF Energy	-204.167027
Nuclear repulsion energy	123.702330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3687	3530	7.22
2	A	3684	3527	11.89
3	A	3587	3434	5.25
4	A	3582	3429	11.91
5	A	3516	3367	7.09
6	A	1798	1722	224.71
7	A	1727	1654	152.11
8	A	1705	1632	48.10
9	A	1504	1440	104.79
10	A	1246	1193	31.78
11	A	1185	1134	51.22
12	A	1155	1106	27.58
13	A	952	912	1.92
14	A	892	854	110.56
15	A	845	809	314.23
16	A	748	717	177.97
17	A	619	593	151.20
18	A	548	525	15.69
19	A	484	463	0.18
20	A	411	394	33.95
21	A	370	354	33.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.126	-0.001
N2	-0.186	1.394	0.010
N3	-0.994	-0.880	0.085
N4	1.270	-0.417	-0.089
H5	-1.176	1.628	-0.038
H6	-1.934	-0.540	-0.056
H7	-0.793	-1.666	-0.519
H8	1.961	0.313	0.007
H9	1.422	-1.164	0.574

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2792	1.4041	1.4000	1.8973	2.0289	2.0194	1.9878	2.0171
N2	1.2792		2.4143	2.3252	1.0183	2.6072	3.1635	2.4035	3.0738
N3	1.4041	2.4143		2.3172	2.5178	1.0093	1.0108	3.1879	2.4820
N4	1.4000	2.3252	2.3172		3.1882	3.2060	2.4490	1.0101	1.0111
H5	1.8973	1.0183	2.5178	3.1882		2.2967	3.3507	3.4015	3.8630
H6	2.0289	2.6072	1.0093	3.2060	2.2967		1.6686	3.9876	3.4715
H7	2.0194	3.1635	1.0108	2.4490	3.3507	1.6686		3.4316	2.5206
H8	1.9878	2.4035	3.1879	1.0101	3.4015	3.9876	3.4316		1.6717
H9	2.0171	3.0738	2.4820	1.0111	3.8630	3.4715	2.5206	1.6717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.827	C1	N3	H6	113.415
C1	N3	H7	112.460	C1	N4	H8	110.081
C1	N4	H9	112.561	N2	C1	N3	128.183
N2	C1	N4	120.361	N3	C1	N4	111.452
H6	N3	H7	111.374	H8	N4	H9	111.595

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)