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	hartrees
Energy at 0K	-603.552178
Energy at 298.15K	-603.559645
Nuclear repulsion energy	224.423714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3757	3610	81.11
2	A	3596	3455	21.89
3	A	3584	3443	64.42
4	A	3558	3419	2.38
5	A	3469	3333	3.13
6	A	1696	1630	39.02
7	A	1615	1552	244.93
8	A	1525	1465	196.27
9	A	1459	1402	19.14
10	A	1307	1255	0.87
11	A	1296	1245	191.08
12	A	1179	1133	27.77
13	A	1018	978	32.19
14	A	908	873	95.93
15	A	824	791	52.99
16	A	677	651	0.49
17	A	610	586	0.38
18	A	515	495	2.01
19	A	491	471	34.20
20	A	393	378	147.50
21	A	387	372	123.00
22	A	301	290	15.29
23	A	175	168	54.56
24	A	38	36	19.18

Atom	x (Å)	y (Å)	z (Å)
H1	-0.611	-1.680	0.014
N2	-0.863	-0.701	-0.035
S3	1.765	-0.359	0.007
C4	0.174	0.189	-0.008
H5	-1.164	1.733	-0.014
H6	0.543	2.180	-0.000
N7	-0.184	1.486	-0.001
H8	-2.645	-0.602	0.867
H9	-2.708	-0.625	-0.788
N10	-2.196	-0.269	0.016

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0121	2.7187	2.0269	3.4576	4.0294	3.1951	2.4553	2.4812	2.1219
N2	1.0121		2.6509	1.3666	2.4527	3.2068	2.2908	1.9997	1.9943	1.4019
S3	2.7187	2.6509		1.6833	3.5992	2.8182	2.6839	4.5000	4.5513	3.9621
C4	2.0269	1.3666	1.6833		2.0426	2.0257	1.3458	3.0555	3.0943	2.4135
H5	3.4576	2.4527	3.5992	2.0426		1.7646	1.0105	2.9019	2.9228	2.2529
H6	4.0294	3.2068	2.8182	2.0257	1.7646		1.0052	4.3195	4.3660	3.6749
N7	3.1951	2.2908	2.6839	1.3458	1.0105	1.0052		3.3425	3.3835	2.6704
H8	2.4553	1.9997	4.5000	3.0555	2.9019	4.3195	3.3425		1.6561	1.0181
H9	2.4812	1.9943	4.5513	3.0943	2.9228	4.3660	3.3835	1.6561		1.0173
N10	2.1219	1.4019	3.9621	2.4135	2.2529	3.6749	2.6704	1.0181	1.0173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.090	H1	N2	N10	122.224
N2	C4	S3	120.370	N2	C4	N7	115.248
N2	N10	H8	110.445	N2	N10	H9	110.034
S3	C4	N7	124.381	C4	N2	N10	121.323
C4	N7	H5	119.518	C4	N7	H6	118.284
H5	N7	H6	122.189	H8	N10	H9	108.912

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/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	0.281
2	N	-0.398
3	S	-0.342
4	C	0.373
5	H	0.287
6	H	0.295
7	N	-0.578
8	H	0.274
9	H	0.276
10	N	-0.468

	x	y	z	Total
	-6.029	0.467	0.109	6.048
CHELPG
AIM
ESP

	x	y	z
x	11.057	-0.627	0.021
y	-0.627	7.007	-0.002
z	0.021	-0.002	3.930

<r²>	161.857
(<r²>)^1/2	12.722

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)