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	hartrees
Energy at 0K	-204.779952
Energy at 298.15K	-204.787649
HF Energy	-204.116014
Nuclear repulsion energy	123.147051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3628	3480
2	A	3623	3476
3	A	3523	3379
4	A	3516	3373
5	A	3441	3301
6	A	1782	1709
7	A	1691	1622
8	A	1672	1604
9	A	1491	1431
10	A	1228	1178
11	A	1170	1122
12	A	1141	1095
13	A	946	907
14	A	882	846
15	A	822	788
16	A	736	706
17	A	602	577
18	A	536	514
19	A	476	457
20	A	400	383
21	A	360	346

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.125	-0.001
N2	-0.172	1.403	0.010
N3	-1.004	-0.876	0.089
N4	1.268	-0.432	-0.093
H5	-1.168	1.645	-0.039
H6	-1.945	-0.522	-0.066
H7	-0.812	-1.663	-0.529
H8	1.966	0.302	0.012
H9	1.418	-1.173	0.590

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2871	1.4084	1.4046	1.9066	2.0338	2.0260	1.9916	2.0233
N2	1.2871		2.4276	2.3347	1.0267	2.6179	3.1776	2.4042	3.0815
N3	1.4084	2.4276		2.3229	2.5296	1.0171	1.0186	3.1965	2.4911
N4	1.4046	2.3347	2.3229		3.2020	3.2147	2.4558	1.0182	1.0190
H5	1.9066	1.0267	2.5296	3.2020		2.3016	3.3627	3.4099	3.8757
H6	2.0338	2.6179	1.0171	3.2147	2.3016		1.6737	3.9975	3.4873
H7	2.0260	3.1776	1.0186	2.4558	3.3627	1.6737		3.4450	2.5420
H8	1.9916	2.4042	3.1965	1.0182	3.4099	3.9975	3.4450		1.6767
H9	2.0233	3.0815	2.4911	1.0190	3.8757	3.4873	2.5420	1.6767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.472	C1	N3	H6	112.976
C1	N3	H7	112.190	C1	N4	H8	109.545
C1	N4	H9	112.219	N2	C1	N3	128.416
N2	C1	N4	120.242	N3	C1	N4	111.336
H6	N3	H7	110.612	H8	N4	H9	110.784

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: QCISD(T)/6-31G*

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(T)/6-31G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)