%chk=000229632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229632

0 1
O -0.247224 -0.281714 0.394090
O 0.395706 -1.355440 -1.503892
O -3.340589 -0.106545 -1.331514
N -3.394747 0.464542 0.869397
C -0.092939 -2.611160 0.586039
C -1.577330 -3.032654 0.615841
C 0.843594 -3.750706 0.146248
C 0.068856 -1.435769 -0.354364
C -2.203805 -3.202735 -0.762437
C 2.310298 -3.411415 0.389394
C -0.349173 0.958321 -0.241421
C 0.789031 1.760531 -0.429903
C -1.638830 1.401665 -0.574816
C 2.147868 1.291254 -0.084569
C 0.602415 3.044059 -0.967207
C -1.793550 2.681508 -1.117601
C -2.832707 0.510367 -0.405047
C -0.674408 3.498118 -1.308662
C 2.796268 0.353644 -0.902740
C 2.795988 1.799157 1.051632
C 4.088553 -0.070024 -0.584338
C 4.087757 1.367583 1.365113
C -4.545736 -0.428661 1.127452
C -2.711544 1.035142 2.049668
C 4.735766 0.435377 0.548275
H 0.196242 -2.279712 1.619321
H -2.150374 -2.271848 1.186949
H -1.664936 -3.976625 1.189870
H 0.572568 -4.675434 0.692792
H 0.680937 -3.975519 -0.929324
H -1.566230 -3.777472 -1.443414
H -3.168608 -3.718005 -0.701762
H -2.400961 -2.230997 -1.249402
H 2.520975 -3.226137 1.448571
H 2.617646 -2.514937 -0.167508
H 2.962690 -4.230227 0.063782
H 1.470615 3.686221 -1.125710
H -2.787630 3.033904 -1.398224
H -0.798471 4.492862 -1.735353
H 2.282311 -0.046118 -1.782290
H 2.291299 2.523725 1.687443
H 4.593133 -0.793540 -1.223067
H 4.590506 1.759829 2.247340
H -4.274404 -1.262011 1.793974
H -4.911095 -0.859971 0.172265
H -5.373437 0.141422 1.579733
H -1.747240 0.524645 2.237279
H -3.335457 0.943450 2.951516
H -2.506077 2.108583 1.890755
H 5.742977 0.104367 0.792927


%chk=000229632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229632

0 1
O -0.186700 -0.279324 0.410737
O 0.202098 -1.402407 -1.613449
O -3.414951 0.100790 -1.478890
N -3.315511 0.336999 0.840719
C -0.078778 -2.690595 0.495396
C -1.586150 -3.030922 0.758249
C 0.701157 -3.876728 -0.123776
C 0.011206 -1.451968 -0.385633
C -2.400683 -3.391737 -0.503409
C 2.233364 -3.697020 -0.079676
C -0.302314 0.999804 -0.232535
C 0.839057 1.832779 -0.374657
C -1.601278 1.436334 -0.587499
C 2.219446 1.425246 0.035192
C 0.632965 3.134316 -0.906306
C -1.760521 2.721976 -1.157587
C -2.831136 0.559449 -0.444046
C -0.646061 3.572771 -1.308033
C 2.862820 0.290724 -0.525413
C 2.936337 2.227225 0.963883
C 4.185107 -0.038692 -0.154978
C 4.257044 1.894258 1.337277
C -4.527858 -0.481040 1.014779
C -2.710512 0.870273 2.070409
C 4.886581 0.757340 0.779751
H 0.368859 -2.424604 1.473332
H -2.054402 -2.168452 1.269076
H -1.603452 -3.878455 1.471624
H 0.417752 -4.793923 0.429566
H 0.379311 -4.016131 -1.171855
H -1.975711 -4.268548 -1.023113
H -3.442160 -3.640109 -0.228203
H -2.436993 -2.552891 -1.220548
H 2.593506 -3.553676 0.956645
H 2.546620 -2.819038 -0.672296
H 2.745464 -4.582473 -0.498133
H 1.502802 3.788370 -1.030856
H -2.758398 3.042503 -1.473822
H -0.772053 4.570612 -1.740559
H 2.338623 -0.306859 -1.277971
H 2.447116 3.103318 1.405549
H 4.670341 -0.912433 -0.604786
H 4.792014 2.519130 2.061341
H -4.315673 -1.364438 1.647716
H -4.866608 -0.813686 0.021837
H -5.328397 0.112548 1.496288
H -2.221255 0.067380 2.655268
H -3.493702 1.336281 2.698305
H -1.954148 1.631722 1.832458
H 5.912311 0.498902 1.065736


