%chk=000187174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187174

0 1
O 2.784121 0.655638 -0.910670
O -3.581848 2.213565 -0.211452
O -1.371312 2.455532 -0.610867
O -1.178760 -4.045106 0.479676
O 2.110264 1.084617 1.204920
N 0.168644 -2.394626 0.946656
N -0.047041 -3.634593 0.515648
C -0.898820 -1.448253 1.389367
C 1.574908 -1.897319 0.934533
C -1.089598 -0.312872 0.374716
C 2.069294 -1.643997 -0.499177
C -2.201948 0.638045 0.824494
C 3.247475 -0.677337 -0.540873
C -2.265163 1.842420 -0.071631
C 2.217280 1.458260 0.057047
C 1.798264 2.739947 -0.557144
C -3.856640 3.387784 -1.022305
H -1.848060 -2.022966 1.516499
H -0.629285 -1.043623 2.389719
H 1.631720 -0.955305 1.539101
H 2.228667 -2.643554 1.440326
H -0.140569 0.255016 0.254972
H -1.325645 -0.731200 -0.625140
H 2.342658 -2.607501 -0.976331
H 1.248723 -1.240589 -1.131861
H -2.026305 0.987165 1.867599
H -3.186154 0.118480 0.848244
H 3.942130 -0.892652 -1.374897
H 3.801640 -0.612047 0.411460
H 2.207109 2.886763 -1.568361
H 2.088983 3.598320 0.066037
H 0.688586 2.777622 -0.652387
H -4.951150 3.394828 -1.067650
H -3.406503 3.270440 -2.013318
H -3.461861 4.274501 -0.517651


%chk=000187174-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187174

0 1
O 2.822175 0.679713 -1.050848
O -3.719365 2.239267 -0.210019
O -1.428664 2.367562 -0.584837
O -1.079471 -4.237577 0.885126
O 2.420821 1.236597 1.179793
N 0.206172 -2.386530 1.068563
N 0.111463 -3.747549 0.829822
C -0.959981 -1.530249 1.382397
C 1.572546 -1.833494 0.964624
C -1.167499 -0.398153 0.351979
C 2.033758 -1.645735 -0.507085
C -2.369044 0.491655 0.734140
C 3.245442 -0.703918 -0.657036
C -2.413378 1.771069 -0.087048
C 2.422656 1.555884 -0.034746
C 1.966115 2.875330 -0.607609
C -3.885123 3.516716 -0.950167
H -1.832786 -2.208112 1.418328
H -0.812686 -1.093626 2.390704
H 1.596246 -0.866556 1.492855
H 2.261902 -2.522200 1.484327
H -0.267395 0.239061 0.296738
H -1.326560 -0.832684 -0.652544
H 2.274045 -2.639136 -0.929275
H 1.207324 -1.240089 -1.118820
H -2.287836 0.794030 1.799147
H -3.331358 -0.038356 0.630830
H 3.890324 -1.005483 -1.496541
H 3.842650 -0.641166 0.271551
H 2.417665 3.059714 -1.593737
H 2.217128 3.688095 0.092097
H 0.865065 2.849364 -0.720063
H -4.966317 3.710257 -0.933181
H -3.515185 3.407814 -1.983207
H -3.327042 4.323887 -0.446956


