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	hartrees
Energy at 0K	-206.408221
Energy at 298.15K	-206.418435
HF Energy	-206.169977
Nuclear repulsion energy	137.752575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3579	3579	1.34
2	A	3487	3487	9.53
3	A	3087	3087	37.59
4	A	1713	1713	66.30
5	A	1392	1392	1.08
6	A	964	964	17.12
7	A	884	884	0.07
8	A	564	564	21.09
9	A	322	322	71.92
10	E	3579	3579	0.30
10	E	3579	3579	0.30
11	E	3490	3490	1.10
11	E	3490	3490	1.10
12	E	1723	1723	31.17
12	E	1723	1723	31.18
13	E	1445	1445	24.01
13	E	1445	1445	24.01
14	E	1247	1247	54.82
14	E	1247	1247	54.81
15	E	1063	1063	59.34
15	E	1063	1063	59.34
16	E	931	931	245.68
16	E	931	931	245.69
17	E	445	445	40.36
17	E	445	445	40.36
18	E	290	290	24.46
18	E	290	290	24.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.460
N3	0.000	1.397	-0.054
N4	1.210	-0.698	-0.054
N5	-1.210	-0.698	-0.054
H6	0.874	1.826	0.230
H7	1.144	-1.671	0.230
H8	-2.019	-0.156	0.230
H9	-0.039	1.445	-1.069
H10	1.271	-0.689	-1.069
H11	-1.232	-0.756	-1.069

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0931	1.4588	1.4588	1.4588	2.0296	2.0296	2.0296	2.0373	2.0373	2.0373
H2	1.0931		2.0600	2.0600	2.0600	2.3692	2.3692	2.3692	2.9127	2.9127	2.9127
N3	1.4588	2.0600		2.4192	2.4192	1.0149	3.2861	2.5627	1.0163	2.6448	2.6800
N4	1.4588	2.0600	2.4192		2.4192	2.5627	1.0149	3.2861	2.6800	1.0163	2.6448
N5	1.4588	2.0600	2.4192	2.4192		3.2861	2.5627	1.0149	2.6448	2.6800	1.0163
H6	2.0296	2.3692	1.0149	2.5627	3.2861		3.5073	3.5073	1.6327	2.8584	3.5768
H7	2.0296	2.3692	3.2861	1.0149	2.5627	3.5073		3.5073	3.5768	1.6327	2.8584
H8	2.0296	2.3692	2.5627	3.2861	1.0149	3.5073	3.5073		2.8584	3.5768	1.6327
H9	2.0373	2.9127	1.0163	2.6800	2.6448	1.6327	3.5768	2.8584		2.5040	2.5040
H10	2.0373	2.9127	2.6448	1.0163	2.6800	2.8584	1.6327	3.5768	2.5040		2.5040
H11	2.0373	2.9127	2.6800	2.6448	1.0163	3.5768	2.8584	1.6327	2.5040	2.5040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.937	C1	N3	H9	109.493
C1	N4	H7	108.937	C1	N4	H10	109.493
C1	N5	H8	108.937	C1	N5	H11	109.493
H2	C1	N3	106.773	H2	C1	N4	106.773
H2	C1	N5	106.773	N3	C1	N4	112.029
N3	C1	N5	112.029	N4	C1	N5	112.029
H6	N3	H9	106.983	H7	N4	H10	106.983
H8	N5	H11	106.983

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)