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	hartrees
Energy at 0K	-206.079051
Energy at 298.15K	-206.089330
HF Energy	-205.337322
Nuclear repulsion energy	137.765671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3586	3422	0.37
2	A	3497	3337	5.55
3	A	3084	2942	36.05
4	A	1657	1581	51.48
5	A	1387	1324	1.16
6	A	977	932	14.75
7	A	898	857	0.67
8	A	565	539	22.81
9	A	325	310	65.04
10	E	3587	3422	0.19
10	E	3587	3422	0.19
11	E	3499	3338	0.17
11	E	3499	3338	0.17
12	E	1669	1592	24.84
12	E	1669	1592	24.84
13	E	1450	1383	24.88
13	E	1450	1383	24.88
14	E	1256	1199	54.57
14	E	1256	1199	54.57
15	E	1080	1030	42.95
15	E	1080	1030	42.95
16	E	952	908	203.64
16	E	952	908	203.64
17	E	449	428	38.33
17	E	449	428	38.33
18	E	297	284	20.40
18	E	297	284	20.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.374
H2	0.000	0.000	1.471
N3	0.000	1.396	-0.054
N4	1.209	-0.698	-0.054
N5	-1.209	-0.698	-0.054
H6	0.888	1.814	0.214
H7	1.127	-1.676	0.214
H8	-2.015	-0.138	0.214
H9	-0.030	1.423	-1.072
H10	1.248	-0.686	-1.072
H11	-1.217	-0.738	-1.072

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0966	1.4604	1.4604	1.4604	2.0260	2.0260	2.0260	2.0292	2.0292	2.0292
H2	1.0966		2.0676	2.0676	2.0676	2.3787	2.3787	2.3787	2.9142	2.9142	2.9142
N3	1.4604	2.0676		2.4182	2.4182	1.0173	3.2833	2.5468	1.0186	2.6317	2.6592
N4	1.4604	2.0676	2.4182		2.4182	2.5468	1.0173	3.2833	2.6592	1.0186	2.6317
N5	1.4604	2.0676	2.4182	2.4182		3.2833	2.5468	1.0173	2.6317	2.6592	1.0186
H6	2.0260	2.3787	1.0173	2.5468	3.2833		3.4982	3.4982	1.6278	2.8341	3.5494
H7	2.0260	2.3787	3.2833	1.0173	2.5468	3.4982		3.4982	3.5494	1.6278	2.8341
H8	2.0260	2.3787	2.5468	3.2833	1.0173	3.4982	3.4982		2.8341	3.5494	1.6278
H9	2.0292	2.9142	1.0186	2.6592	2.6317	1.6278	3.5494	2.8341		2.4656	2.4656
H10	2.0292	2.9142	2.6317	1.0186	2.6592	2.8341	1.6278	3.5494	2.4656		2.4656
H11	2.0292	2.9142	2.6592	2.6317	1.0186	3.5494	2.8341	1.6278	2.4656	2.4656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.383	C1	N3	H9	108.570
C1	N4	H7	108.383	C1	N4	H10	108.570
C1	N5	H8	108.383	C1	N5	H11	108.570
H2	C1	N3	107.057	H2	C1	N4	107.057
H2	C1	N5	107.057	N3	C1	N4	111.774
N3	C1	N5	111.774	N4	C1	N5	111.774
H6	N3	H9	106.170	H7	N4	H10	106.170
H8	N5	H11	106.170

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: QCISD/6-311G**

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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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: QCISD/6-311G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)