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	hartrees
Energy at 0K	-204.886562
Energy at 298.15K	-204.894309
HF Energy	-204.183799
Nuclear repulsion energy	123.714088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3689	3520	9.88
2	A	3686	3517	15.02
3	A	3588	3424	5.90
4	A	3584	3420	15.56
5	A	3532	3369	4.73
6	A	1785	1703	246.54
7	A	1668	1592	129.52
8	A	1651	1575	28.84
9	A	1487	1418	93.04
10	A	1226	1170	27.19
11	A	1173	1119	57.85
12	A	1136	1084	21.58
13	A	948	905	3.43
14	A	871	831	77.40
15	A	827	789	273.41
16	A	734	701	164.97
17	A	604	577	146.66
18	A	541	516	14.83
19	A	480	458	0.08
20	A	403	384	24.11
21	A	365	348	40.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	0.126	-0.001
N2	-0.208	1.391	0.009
N3	-0.981	-0.893	0.088
N4	1.277	-0.398	-0.092
H5	-1.206	1.592	-0.032
H6	-1.922	-0.563	-0.076
H7	-0.763	-1.677	-0.513
H8	1.958	0.341	0.026
H9	1.433	-1.148	0.569

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2789	1.4046	1.4007	1.8865	2.0251	2.0169	1.9881	2.0140
N2	1.2789		2.4127	2.3271	1.0188	2.6001	3.1612	2.4070	3.0747
N3	1.4046	2.4127		2.3188	2.4981	1.0103	1.0118	3.1877	2.4747
N4	1.4007	2.3271	2.3188		3.1825	3.2028	2.4445	1.0111	1.0120
H5	1.8865	1.0188	2.4981	3.1825		2.2708	3.3337	3.4026	3.8513
H6	2.0251	2.6001	1.0103	3.2028	2.2708		1.6656	3.9842	3.4659
H7	2.0169	3.1612	1.0118	2.4445	3.3337	1.6656		3.4298	2.5048
H8	1.9881	2.4070	3.1877	1.0111	3.4026	3.9842	3.4298		1.6689
H9	2.0140	3.0747	2.4747	1.0120	3.8513	3.4659	2.5048	1.6689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	109.858	C1	N3	H6	112.961
C1	N3	H7	112.136	C1	N4	H8	109.987
C1	N4	H9	112.171	N2	C1	N3	128.009
N2	C1	N4	120.490	N3	C1	N4	111.497
H6	N3	H7	110.913	H8	N4	H9	111.155

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)