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	hartrees
Energy at 0K	-603.535233
Energy at 298.15K	-603.542515
HF Energy	-603.535233
Nuclear repulsion energy	224.483138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3682	3631	65.70
2	A	3510	3460	21.86
3	A	3503	3454	28.51
4	A	3480	3431	2.62
5	A	3391	3343	5.35
6	A	1657	1634	26.84
7	A	1566	1544	209.41
8	A	1467	1447	154.40
9	A	1416	1396	22.54
10	A	1284	1266	2.90
11	A	1260	1243	176.88
12	A	1132	1117	35.71
13	A	982	968	33.03
14	A	877	865	74.20
15	A	804	792	44.55
16	A	648	639	3.12
17	A	594	586	1.66
18	A	509	502	13.36
19	A	489	482	27.85
20	A	380	374	9.08
21	A	351	347	139.16
22	A	287	283	24.26
23	A	100	99	7.42
24	A	57	57	73.96

Atom	x (Å)	y (Å)	z (Å)
H1	-0.609	-1.669	0.035
N2	-0.865	-0.698	-0.095
S3	1.757	-0.365	0.019
C4	0.177	0.190	-0.022
H5	-1.149	1.749	-0.038
H6	0.560	2.178	0.001
N7	-0.173	1.492	-0.004
H8	-2.583	-0.584	0.931
H9	-2.756	-0.654	-0.711
N10	-2.196	-0.268	0.043

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0124	2.7020	2.0186	3.4603	4.0208	3.1905	2.4235	2.4889	2.1168
N2	1.0124		2.6461	1.3707	2.4633	3.2110	2.2980	2.0036	1.9895	1.4056
S3	2.7020	2.6461		1.6754	3.5943	2.8115	2.6787	4.4402	4.5815	3.9549
C4	2.0186	1.3707	1.6754		2.0468	2.0253	1.3485	3.0202	3.1291	2.4178
H5	3.4603	2.4633	3.5943	2.0468		1.7623	1.0098	2.9039	2.9682	2.2733
H6	4.0208	3.2110	2.8115	2.0253	1.7623		1.0042	4.2857	4.4187	3.6850
N7	3.1905	2.2980	2.6787	1.3485	1.0098	1.0042		3.3147	3.4318	2.6815
H8	2.4235	2.0036	4.4402	3.0202	2.9039	4.2857	3.3147		1.6530	1.0184
H9	2.4889	1.9895	4.5815	3.1291	2.9682	4.4187	3.4318	1.6530		1.0162
N10	2.1168	1.4056	3.9549	2.4178	2.2733	3.6850	2.6815	1.0184	1.0162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.166	H1	N2	N10	121.222
N2	C4	S3	120.052	N2	C4	N7	115.839
N2	N10	H8	110.645	N2	N10	H9	109.757
S3	C4	N7	124.109	C4	N2	N10	121.884
C4	N7	H5	119.692	C4	N7	H6	118.187
H5	N7	H6	122.002	H8	N10	H9	108.474

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B97D3/cc-pVTZ

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	0.151
2	N	-0.077
3	S	-0.413
4	C	0.145
5	H	0.140
6	H	0.163
7	N	-0.160
8	H	0.156
9	H	0.162
10	N	-0.265

	x	y	z	Total
	-5.560	0.543	0.257	5.592
CHELPG
AIM
ESP

	x	y	z
x	12.497	-0.517	0.034
y	-0.517	8.568	-0.028
z	0.034	-0.028	5.223

<r²>	161.823
(<r²>)^1/2	12.721

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)