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	hartrees
Energy at 0K	-205.012300
Energy at 298.15K	-205.020026
HF Energy	-204.210256
Nuclear repulsion energy	124.370471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3711	3465	17.46
2	A	3706	3461	23.44
3	A	3606	3367	11.54
4	A	3601	3362	22.48
5	A	3554	3318	5.22
6	A	1805	1686	291.09
7	A	1673	1562	124.47
8	A	1659	1549	27.01
9	A	1493	1394	106.39
10	A	1224	1143	25.92
11	A	1165	1087	64.09
12	A	1131	1056	16.83
13	A	957	893	8.39
14	A	855	798	59.64
15	A	807	754	190.42
16	A	695	649	174.67
17	A	604	563	203.79
18	A	549	513	14.87
19	A	482	450	0.05
20	A	405	378	15.42
21	A	356	332	47.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	0.125	-0.000
N2	-0.239	1.376	0.007
N3	-0.959	-0.904	0.085
N4	1.280	-0.365	-0.090
H5	-1.235	1.563	-0.026
H6	-1.902	-0.599	-0.080
H7	-0.726	-1.700	-0.485
H8	1.948	0.377	0.040
H9	1.456	-1.137	0.532

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2707	1.3959	1.3922	1.8833	2.0183	2.0159	1.9845	2.0133
N2	1.2707		2.3928	2.3132	1.0136	2.5834	3.1535	2.4054	3.0769
N3	1.3959	2.3928		2.3101	2.4855	1.0052	1.0067	3.1773	2.4669
N4	1.3922	2.3132	2.3101		3.1700	3.1913	2.4420	1.0064	1.0068
H5	1.8833	1.0136	2.4855	3.1700		2.2633	3.3349	3.3978	3.8529
H6	2.0183	2.5834	1.0052	3.1913	2.2633		1.6620	3.9740	3.4557
H7	2.0159	3.1535	1.0067	2.4420	3.3349	1.6620		3.4262	2.4719
H8	1.9845	2.4054	3.1773	1.0064	3.3978	3.9740	3.4262		1.6663
H9	2.0133	3.0769	2.4669	1.0068	3.8529	3.4557	2.4719	1.6663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.560	C1	N3	H6	113.408
C1	N3	H7	113.083	C1	N4	H8	110.631
C1	N4	H9	113.140	N2	C1	N3	127.553
N2	C1	N4	120.539	N3	C1	N4	111.906
H6	N3	H7	111.402	H8	N4	H9	111.725

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CCD/cc-pVTZ

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-pVTZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)