%chk=000258058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258058

0 1
N -3.298388 1.179413 -0.000026
N 3.149147 1.824643 0.000019
C -1.885744 1.291378 -0.000021
C -1.323795 -0.057686 -0.000030
C -1.091217 2.424745 -0.000028
C -2.449555 -0.984254 -0.000034
C 0.328846 2.227739 -0.000015
C 0.879044 0.910788 -0.000029
C -3.649922 -0.191977 -0.000026
C 0.033343 -0.235898 -0.000040
C 2.321064 0.781747 -0.000023
C -1.674813 3.798443 -0.000051
C -2.542869 -2.371676 -0.000045
C 1.244963 3.330914 0.000023
C -4.918388 -0.775940 -0.000031
C 2.945442 -0.570175 -0.000072
C -3.813999 -2.958790 -0.000051
C -4.976333 -2.173021 -0.000044
C 2.599642 3.099241 0.000043
C 3.237244 -1.202917 -1.216638
C 3.237289 -1.202991 1.216440
C 3.813517 -2.476215 -1.211836
C 3.813561 -2.476292 1.211538
C 4.099595 -3.114025 -0.000173
H 0.473648 -1.233875 -0.000050
H -3.940397 1.947620 0.000040
H -1.354236 4.364423 0.888182
H -1.354135 4.364429 -0.888246
H -2.770302 3.804208 -0.000120
H -1.644790 -2.986494 -0.000045
H 0.858645 4.347283 0.000034
H -5.821636 -0.176447 -0.000032
H -3.902803 -4.043181 -0.000060
H -5.950356 -2.663330 -0.000052
H 3.336795 3.909352 0.000105
H 3.023333 -0.698584 -2.157977
H 3.023417 -0.698718 2.157822
H 4.043963 -2.969633 -2.154655
H 4.044037 -2.969766 2.154319
H 4.549943 -4.104883 -0.000215


%chk=000258058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258058

0 1
N -3.305142 1.177517 -0.000023
N 3.171474 1.839235 -0.000018
C -1.903676 1.292949 -0.000025
C -1.350939 -0.052126 -0.000053
C -1.110186 2.448520 -0.000006
C -2.482261 -0.977784 -0.000066
C 0.314379 2.249989 -0.000012
C 0.887890 0.908197 -0.000041
C -3.676025 -0.180590 -0.000045
C 0.032189 -0.236566 -0.000062
C 2.332536 0.780798 -0.000045
C -1.710631 3.842062 0.000023
C -2.586608 -2.386608 -0.000095
C 1.238915 3.349206 0.000015
C -4.961084 -0.759199 -0.000051
C 2.971996 -0.582447 -0.000075
C -3.869674 -2.977343 -0.000101
C -5.040687 -2.170471 -0.000079
C 2.610500 3.105862 0.000012
C 3.279997 -1.231652 -1.221859
C 3.280181 -1.231616 1.221682
C 3.890039 -2.506668 -1.222650
C 3.890221 -2.506633 1.222418
C 4.195463 -3.148715 -0.000129
H 0.471877 -1.238106 -0.000083
H -3.957685 1.957065 0.000021
H -1.396490 4.418986 0.890188
H -1.396418 4.419051 -0.890075
H -2.814134 3.823136 -0.000026
H -1.688094 -3.013417 -0.000112
H 0.876156 4.381391 0.000040
H -5.869171 -0.146527 -0.000035
H -3.967033 -4.068051 -0.000122
H -6.025336 -2.651319 -0.000084
H 3.330611 3.931556 0.000033
H 3.051037 -0.731575 -2.169734
H 3.051365 -0.731511 2.169576
H 4.128581 -2.995167 -2.174224
H 4.128904 -2.995105 2.173971
H 4.669761 -4.136728 -0.000151


