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	hartrees
Energy at 0K	-600.022743
Energy at 298.15K	-600.030663
Nuclear repulsion energy	221.364839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3584	3551	78.37
2	A	3401	3370	17.23
3	A	3373	3343	0.08
4	A	3347	3316	62.77
5	A	3269	3239	2.64
6	A	1673	1658	19.17
7	A	1560	1546	221.36
8	A	1451	1437	167.81
9	A	1438	1425	28.02
10	A	1271	1260	130.29
11	A	1255	1244	0.91
12	A	1123	1112	37.23
13	A	983	974	15.57
14	A	807	800	15.20
15	A	767	760	94.49
16	A	729	722	139.24
17	A	622	616	15.23
18	A	557	552	350.47
19	A	513	509	1.69
20	A	488	484	1.50
21	A	355	352	5.30
22	A	339	336	15.68
23	A	289	287	17.02
24	A	137	136	18.43

Atom	x (Å)	y (Å)	z (Å)
H1	0.572	-1.730	-0.000
N2	0.845	-0.739	0.000
S3	-1.814	-0.328	-0.000
C4	-0.164	0.197	0.000
H5	1.277	1.619	-0.000
H6	-0.427	2.233	-0.000
N7	0.256	1.477	-0.000
H8	2.701	-0.609	-0.853
H9	2.701	-0.609	0.853
N10	2.212	-0.286	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0275	2.7672	2.0622	3.4223	4.0863	3.2227	2.5527	2.5528	2.1848
N2	1.0275		2.6911	1.3768	2.3975	3.2329	2.2938	2.0463	2.0462	1.4395
S3	2.7672	2.6911		1.7310	3.6533	2.9119	2.7466	4.6034	4.6034	4.0260
C4	2.0622	1.3768	1.7310		2.0253	2.0529	1.3480	3.0962	3.0962	2.4246
H5	3.4223	2.3975	3.6533	2.0253		1.8116	1.0312	2.7780	2.7784	2.1219
H6	4.0863	3.2329	2.9119	2.0529	1.8116		1.0183	4.3112	4.3114	3.6480
N7	3.2227	2.2938	2.7466	1.3480	1.0312	1.0183		3.3254	3.3256	2.6335
H8	2.5527	2.0463	4.6034	3.0962	2.7780	4.3112	3.3254		1.7061	1.0350
H9	2.5528	2.0462	4.6034	3.0962	2.7784	4.3114	3.3256	1.7061		1.0350
N10	2.1848	1.4395	4.0260	2.4246	2.1219	3.6480	2.6335	1.0350	1.0350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	117.380	H1	N2	N10	123.795
N2	C4	S3	119.540	N2	C4	N7	114.659
N2	N10	H8	110.510	N2	N10	H9	110.505
S3	C4	N7	125.801	C4	N2	N10	118.824
C4	N7	H5	116.055	C4	N7	H6	119.702
H5	N7	H6	124.243	H8	N10	H9	111.009

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	H	0.336
2	N	-0.515
3	S	-0.081
4	C	0.205
5	H	0.329
6	H	0.340
7	N	-0.721
8	H	0.310
9	H	0.310
10	N	-0.513

	x	y	z	Total
	6.684	0.275	-0.001	6.690
CHELPG
AIM
ESP

	x	y	z
x	10.893	0.583	0.000
y	0.583	6.246	-0.000
z	0.000	-0.000	2.986

<r²>	165.417
(<r²>)^1/2	12.861

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)