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	hartrees
Energy at 0K	-603.478319
Energy at 298.15K	-603.486003
Nuclear repulsion energy	222.001052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3543	3549	36.09
2	A	3467	3472	34.62
3	A	3395	3400	3.67
4	A	3362	3367	0.55
5	A	3282	3287	4.30
6	A	1615	1618	16.00
7	A	1546	1549	127.04
8	A	1431	1434	162.56
9	A	1383	1385	55.01
10	A	1271	1273	2.75
11	A	1237	1238	101.55
12	A	1130	1132	17.89
13	A	1017	1019	28.22
14	A	850	852	103.46
15	A	790	791	14.87
16	A	622	623	12.48
17	A	573	574	160.73
18	A	532	533	43.59
19	A	480	481	18.98
20	A	402	402	93.30
21	A	374	375	2.87
22	A	306	307	49.96
23	A	264	265	23.50
24	A	124	125	6.35

Atom	x (Å)	y (Å)	z (Å)
H1	-0.590	-1.721	-0.009
N2	-0.868	-0.746	-0.151
S3	1.779	-0.333	0.029
C4	0.165	0.166	-0.040
H5	-1.117	1.765	-0.380
H6	0.544	2.154	-0.085
N7	-0.223	1.491	0.043
H8	-2.652	0.010	-0.705
H9	-2.308	0.185	0.913
N10	-2.240	-0.468	0.113

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0238	2.7458	2.0325	3.5450	4.0384	3.2338	2.7807	2.7261	2.0752
N2	1.0238		2.6845	1.3819	2.5335	3.2261	2.3365	2.0154	2.0177	1.4248
S3	2.7458	2.6845		1.6906	3.5988	2.7787	2.7085	4.5043	4.2126	4.0219
C4	2.0325	1.3819	1.6906		2.0772	2.0246	1.3838	2.8986	2.6496	2.4917
H5	3.5450	2.5335	3.5988	2.0772		1.7312	1.0258	2.3546	2.3635	2.5481
H6	4.0384	3.2261	2.7787	2.0246	1.7312		1.0221	3.8987	3.6066	3.8300
N7	3.2338	2.3365	2.7085	1.3838	1.0258	1.0221		2.9420	2.6092	2.8131
H8	2.7807	2.0154	4.5043	2.8986	2.3546	3.8987	2.9420		1.6631	1.0333
H9	2.7261	2.0177	4.2126	2.6496	2.3635	3.6066	2.6092	1.6631		1.0346
N10	2.0752	1.4248	4.0219	2.4917	2.5481	3.8300	2.8131	1.0333	1.0346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	114.490	H1	N2	N10	114.900
N2	C4	S3	121.461	N2	C4	N7	115.304
N2	N10	H8	109.113	N2	N10	H9	109.221
S3	C4	N7	123.214	C4	N2	N10	125.182
C4	N7	H5	118.342	C4	N7	H6	113.759
H5	N7	H6	115.428	H8	N10	H9	107.076

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: BLYP/cc-pVDZ

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	0.104
2	N	-0.065
3	S	-0.308
4	C	0.042
5	H	0.055
6	H	0.100
7	N	-0.029
8	H	0.096
9	H	0.088
10	N	-0.082

	x	y	z	Total
	-4.227	2.448	-0.625	4.925
CHELPG
AIM
ESP

	x	y	z
x	11.751	-0.930	0.267
y	-0.930	7.595	-0.092
z	0.267	-0.092	4.062

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)