%chk=000180399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180399

0 1
O -1.800368 0.156795 0.272878
N -5.004768 -1.334929 -0.474299
C 4.566442 -0.429537 -0.206791
C 3.775783 -0.359698 1.121975
C 4.507737 0.907617 -0.974165
C 6.012659 -0.889303 0.074350
C 2.294125 -0.262038 0.889923
C 5.188709 2.077784 -0.269119
C 6.773752 -1.243153 -1.200901
C 1.642848 0.984986 0.958495
C 1.547363 -1.411047 0.600637
C 0.272765 1.084792 0.746609
C 0.166639 -1.339671 0.382519
C -0.453255 -0.088922 0.459386
C -2.655564 -0.983972 -0.030221
C -4.043865 -0.413092 -0.175645
C -4.325803 0.954138 -0.016555
C -5.646089 1.384556 -0.171313
C -6.280572 -0.897024 -0.620387
C -6.642491 0.453459 -0.477191
H 4.078720 -1.202455 -0.854160
H 4.136069 0.498642 1.723961
H 3.998174 -1.255453 1.737020
H 3.444414 1.160553 -1.164227
H 4.964660 0.765963 -1.973741
H 5.995999 -1.771195 0.744742
H 6.557336 -0.100997 0.629230
H 5.071422 3.004113 -0.842134
H 6.263583 1.901376 -0.144497
H 4.766621 2.249911 0.727470
H 6.266260 -2.029537 -1.770744
H 6.877640 -0.374331 -1.861818
H 7.783026 -1.602457 -0.971314
H 2.219660 1.883850 1.177409
H 2.043180 -2.379906 0.542212
H -0.246049 2.038464 0.796630
H -0.389727 -2.243617 0.160961
H -2.600463 -1.707408 0.806403
H -2.309209 -1.453158 -0.971617
H -3.520439 1.650952 0.222209
H -5.894959 2.439337 -0.053862
H -7.025191 -1.665282 -0.859875
H -7.676573 0.762894 -0.602543


%chk=000180399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180399

0 1
O -1.857165 0.289584 0.356312
N -5.024614 -1.327861 -0.528907
C 4.634445 -0.503068 -0.201726
C 3.827777 -0.413897 1.136225
C 4.544464 0.805556 -1.038160
C 6.092578 -0.950656 0.092203
C 2.326767 -0.251762 0.947006
C 5.261765 2.033141 -0.429091
C 6.957624 -1.174201 -1.167207
C 1.686466 1.008272 1.095321
C 1.518041 -1.359672 0.592557
C 0.300970 1.158981 0.893573
C 0.125773 -1.233251 0.385247
C -0.483299 0.036842 0.535288
C -2.708105 -0.842079 -0.015869
C -4.133898 -0.350311 -0.175256
C -4.509513 0.998603 0.022279
C -5.866717 1.352145 -0.154326
C -6.329175 -0.969060 -0.694765
C -6.797922 0.353589 -0.519762
H 4.159258 -1.303867 -0.810667
H 4.225555 0.421761 1.744049
H 4.029568 -1.340700 1.710567
H 3.474797 1.048488 -1.190073
H 4.959374 0.614091 -2.047090
H 6.054430 -1.894569 0.674379
H 6.583118 -0.206367 0.752080
H 5.115359 2.923174 -1.068287
H 6.350538 1.866536 -0.335029
H 4.872670 2.280779 0.575895
H 6.477926 -1.897063 -1.854443
H 7.116924 -0.234907 -1.727274
H 7.952644 -1.574612 -0.898403
H 2.282811 1.885027 1.376439
H 1.981463 -2.348228 0.481599
H -0.190199 2.130093 1.010067
H -0.460723 -2.117308 0.118110
H -2.674078 -1.629480 0.764968
H -2.365166 -1.291818 -0.970302
H -3.749906 1.730895 0.303650
H -6.190677 2.388412 -0.009485
H -7.014577 -1.776449 -0.977719
H -7.857168 0.587218 -0.666072


