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	hartrees
Energy at 0K	-205.019526
Energy at 298.15K	-205.027236
HF Energy	-204.209894
Nuclear repulsion energy	124.199723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3695	3531	15.71
2	A	3691	3527	21.66
3	A	3591	3431	9.29
4	A	3587	3427	20.84
5	A	3536	3379	4.73
6	A	1780	1701	271.16
7	A	1668	1594	122.91
8	A	1651	1578	26.72
9	A	1487	1421	105.52
10	A	1218	1164	28.27
11	A	1162	1110	64.36
12	A	1127	1077	17.34
13	A	950	908	6.57
14	A	845	808	54.08
15	A	805	769	203.44
16	A	696	665	168.95
17	A	601	575	195.11
18	A	544	520	14.77
19	A	479	458	0.04
20	A	405	387	14.36
21	A	355	339	46.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	0.124	-0.000
N2	-0.236	1.380	0.007
N3	-0.961	-0.905	0.086
N4	1.281	-0.368	-0.090
H5	-1.233	1.568	-0.028
H6	-1.904	-0.595	-0.081
H7	-0.730	-1.700	-0.487
H8	1.949	0.374	0.041
H9	1.454	-1.140	0.535

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2748	1.3972	1.3934	1.8861	2.0185	2.0169	1.9847	2.0138
N2	1.2748		2.3982	2.3169	1.0146	2.5867	3.1584	2.4058	3.0798
N3	1.3972	2.3982		2.3122	2.4898	1.0060	1.0077	3.1791	2.4684
N4	1.3934	2.3169	2.3122		3.1734	3.1929	2.4438	1.0072	1.0077
H5	1.8861	1.0146	2.4898	3.1734		2.2654	3.3382	3.3988	3.8558
H6	2.0185	2.5867	1.0060	3.1929	2.2654		1.6630	3.9747	3.4575
H7	2.0169	3.1584	1.0077	2.4438	3.3382	1.6630		3.4284	2.4755
H8	1.9847	2.4058	3.1791	1.0072	3.3988	3.9747	3.4284		1.6672
H9	2.0138	3.0798	2.4684	1.0077	3.8558	3.4575	2.4755	1.6672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.432	C1	N3	H6	113.267
C1	N3	H7	113.001	C1	N4	H8	110.502
C1	N4	H9	113.028	N2	C1	N3	127.618
N2	C1	N4	120.473	N3	C1	N4	111.906
H6	N3	H7	111.356	H8	N4	H9	111.677

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)