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	hartrees
Energy at 0K	-603.441812
Energy at 298.15K	-603.449522
HF Energy	-603.441812
Nuclear repulsion energy	222.106002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3560	3531	35.84
2	A	3494	3465	37.44
3	A	3417	3389	3.99
4	A	3394	3367	0.70
5	A	3304	3278	4.30
6	A	1666	1652	17.30
7	A	1605	1592	132.06
8	A	1459	1448	140.22
9	A	1394	1382	95.70
10	A	1290	1279	2.38
11	A	1256	1246	121.22
12	A	1142	1133	26.66
13	A	1027	1018	28.56
14	A	855	848	127.11
15	A	797	790	11.01
16	A	632	626	28.74
17	A	588	583	214.39
18	A	547	542	62.76
19	A	483	479	18.85
20	A	412	409	100.70
21	A	378	375	5.12
22	A	315	312	50.96
23	A	267	265	19.92
24	A	126	125	7.27

Atom	x (Å)	y (Å)	z (Å)
H1	0.695	-1.551	-0.564
N2	0.870	-0.778	0.085
S3	-1.778	-0.354	0.025
C4	-0.161	0.158	-0.000
H5	0.904	1.872	0.540
H6	-0.627	2.088	-0.098
N7	0.213	1.503	-0.126
H8	2.826	-1.077	0.218
H9	2.395	0.447	0.569
N10	2.236	-0.304	-0.112

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0245	2.8104	1.9929	3.6032	3.9000	3.1226	2.3191	2.8574	2.0327
N2	1.0245		2.6829	1.3954	2.6895	3.2391	2.3833	1.9834	2.0150	1.4587
S3	2.8104	2.6829		1.6966	3.5240	2.7033	2.7273	4.6652	4.2846	4.0169
C4	1.9929	1.3954	1.6966		2.0896	1.9883	1.4018	3.2402	2.6351	2.4437
H5	3.6032	2.6895	3.5240	2.0896		1.6728	1.0290	3.5355	2.0635	2.6340
H6	3.9000	3.2391	2.7033	1.9883	1.6728		1.0242	4.6955	3.5036	3.7312
N7	3.1226	2.3833	2.7273	1.4018	1.0290	1.0242		3.6888	2.5224	2.7128
H8	2.3191	1.9834	4.6652	3.2402	3.5355	4.6955	3.6888		1.6220	1.0270
H9	2.8574	2.0150	4.2846	2.6351	2.0635	3.5036	2.5224	1.6220		1.0259
N10	2.0327	1.4587	4.0169	2.4437	2.6340	3.7312	2.7128	1.0270	1.0259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	109.937	H1	N2	N10	108.621
N2	C4	S3	120.073	N2	C4	N7	116.864
N2	N10	H8	104.523	N2	N10	H9	107.098
S3	C4	N7	123.055	C4	N2	N10	117.772
C4	N7	H5	117.738	C4	N7	H6	109.095
H5	N7	H6	109.127	H8	N10	H9	104.385

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	H	0.343
2	N	-0.406
3	S	-0.296
4	C	0.311
5	H	0.292
6	H	0.342
7	N	-0.658
8	H	0.306
9	H	0.309
10	N	-0.542

	x	y	z	Total
	4.381	2.660	0.698	5.173
CHELPG
AIM
ESP

	x	y	z
x	11.771	0.985	0.297
y	0.985	7.308	0.033
z	0.297	0.033	4.081

<r²>	164.336
(<r²>)^1/2	12.819

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)