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	hartrees
Energy at 0K	-203.407313
Energy at 298.15K	-203.414873
HF Energy	-202.970440
Nuclear repulsion energy	122.231094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3609	3497	7.51
2	A	3587	3477	8.94
3	A	3492	3384	7.42
4	A	3470	3363	6.64
5	A	3322	3219	15.63
6	A	1744	1691	98.69
7	A	1708	1656	109.51
8	A	1692	1640	56.16
9	A	1441	1396	156.09
10	A	1207	1170	30.11
11	A	1161	1125	72.29
12	A	1116	1081	51.98
13	A	904	876	2.63
14	A	851	825	50.55
15	A	740	717	321.76
16	A	622	603	183.86
17	A	542	525	220.87
18	A	529	513	135.05
19	A	468	454	0.17
20	A	402	390	43.52
21	A	355	344	12.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	0.131	0.002
N2	-0.127	1.418	0.014
N3	-1.039	-0.849	0.058
N4	1.262	-0.472	-0.073
H5	-1.106	1.741	-0.064
H6	-1.997	-0.509	0.049
H7	-0.874	-1.686	-0.496
H8	2.005	0.226	-0.078
H9	1.413	-1.239	0.582

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2914	1.4156	1.4174	1.9441	2.0795	2.0691	2.0272	2.0645
N2	1.2914		2.4435	2.3465	1.0341	2.6851	3.2328	2.4438	3.1225
N3	1.4156	2.4435		2.3356	2.5937	1.0163	1.0174	3.2308	2.5381
N4	1.4174	2.3465	2.3356		3.2410	3.2615	2.4935	1.0187	1.0194
H5	1.9441	1.0341	2.5937	3.2410		2.4227	3.4621	3.4601	3.9552
H6	2.0795	2.6851	1.0163	3.2615	2.4227		1.7155	4.0704	3.5281
H7	2.0691	3.2328	1.0174	2.4935	3.4621	1.7155		3.4809	2.5681
H8	2.0272	2.4438	3.2308	1.0187	3.4601	4.0704	3.4809		1.7116
H9	2.0645	3.1225	2.5381	1.0194	3.9552	3.5281	2.5681	1.7116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	112.979	C1	N3	H6	116.586
C1	N3	H7	115.548	C1	N4	H8	111.592
C1	N4	H9	114.831	N2	C1	N3	128.966
N2	C1	N4	119.976	N3	C1	N4	111.058
H6	N3	H7	115.033	H8	N4	H9	114.236

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)