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	hartrees
Energy at 0K	-603.509545
Energy at 298.15K	-603.517121
Nuclear repulsion energy	225.563828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3780	3616	90.28
2	A	3625	3468	36.41
3	A	3613	3456	12.12
4	A	3605	3448	69.21
5	A	3517	3364	1.10
6	A	1693	1620	50.94
7	A	1613	1543	273.82
8	A	1534	1467	204.29
9	A	1459	1396	24.19
10	A	1303	1246	0.70
11	A	1297	1241	225.44
12	A	1193	1141	25.13
13	A	1029	984	33.70
14	A	895	856	100.01
15	A	827	791	69.77
16	A	674	645	0.66
17	A	604	578	2.34
18	A	521	499	0.62
19	A	495	474	16.33
20	A	394	377	261.82
21	A	389	372	1.24
22	A	300	287	10.56
23	A	210	201	39.91
24	A	60	57	18.78

Atom	x (Å)	y (Å)	z (Å)
H1	0.610	-1.679	0.000
N2	0.859	-0.700	-0.000
S3	-1.754	-0.357	0.000
C4	-0.175	0.186	-0.000
H5	1.160	1.732	-0.000
H6	-0.544	2.173	-0.000
N7	0.182	1.480	0.000
H8	2.667	-0.595	-0.830
H9	2.667	-0.594	0.830
N10	2.182	-0.271	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0103	2.7085	2.0230	3.4544	4.0208	3.1876	2.4689	2.4688	2.1099
N2	1.0103		2.6358	1.3616	2.4498	3.1971	2.2824	1.9919	1.9919	1.3901
S3	2.7085	2.6358		1.6696	3.5853	2.8043	2.6694	4.5048	4.5045	3.9367
C4	2.0230	1.3616	1.6696		2.0427	2.0212	1.3430	3.0621	3.0619	2.4007
H5	3.4544	2.4498	3.5853	2.0427		1.7603	1.0092	2.8935	2.8933	2.2483
H6	4.0208	3.1971	2.8043	2.0212	1.7603		1.0040	4.3199	4.3195	3.6611
N7	3.1876	2.2824	2.6694	1.3430	1.0092	1.0040		3.3417	3.3414	2.6577
H8	2.4689	1.9919	4.5048	3.0621	2.8935	4.3199	3.3417		1.6596	1.0143
H9	2.4688	1.9919	4.5045	3.0619	2.8933	4.3195	3.3414	1.6596		1.0143
N10	2.1099	1.3901	3.9367	2.4007	2.2483	3.6611	2.6577	1.0143	1.0143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.270	H1	N2	N10	122.241
N2	C4	S3	120.477	N2	C4	N7	115.107
N2	N10	H8	110.909	N2	N10	H9	110.911
S3	C4	N7	124.416	C4	N2	N10	121.489
C4	N7	H5	119.879	C4	N7	H6	118.181
H5	N7	H6	121.940	H8	N10	H9	109.791

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B1B95/6-31+G**

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	0.326
2	N	-0.057
3	S	-0.246
4	C	-0.066
5	H	0.339
6	H	0.337
7	N	-0.493
8	H	0.317
9	H	0.317
10	N	-0.776

	x	y	z	Total
	5.877	0.476	0.001	5.896
CHELPG
AIM
ESP

	x	y	z
x	12.346	0.515	-0.000
y	0.515	8.749	0.000
z	-0.000	0.000	5.900

<r²>	160.931
(<r²>)^1/2	12.686

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)