%chk=000213809.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213809

0 1
O 0.937684 1.321481 0.188583
O -5.221706 -1.476115 -0.073841
N 4.152894 -0.417317 0.115607
C 2.817041 0.005817 0.639810
C 5.216157 0.574651 0.491631
C 4.513188 -1.805075 0.556958
C 2.140235 0.838711 -0.461096
C 0.082513 2.105851 -0.681350
C -1.134578 2.430807 0.189193
C 6.420898 0.424186 -0.438601
C 3.667756 -2.830875 -0.199466
C -2.197243 1.370797 0.115211
C -3.515183 1.699122 -0.248093
C -1.874831 0.041947 0.425600
C -4.500561 0.718286 -0.299580
C -2.845134 -0.962307 0.380121
C -4.150688 -0.609264 0.017984
C -4.988320 -2.870159 0.234243
H 2.862931 0.594768 1.580805
H 2.179421 -0.875345 0.869659
H 5.536248 0.481643 1.551856
H 4.795368 1.598927 0.377376
H 4.404519 -1.950451 1.653280
H 5.588114 -1.973707 0.318552
H 2.751614 1.698451 -0.780551
H 1.871752 0.226375 -1.337581
H 0.629096 3.015299 -0.983712
H -0.178249 1.509548 -1.572382
H -0.793991 2.531300 1.247016
H -1.536355 3.423771 -0.090902
H 7.134457 1.241198 -0.293386
H 6.104985 0.432519 -1.490937
H 6.951319 -0.520611 -0.274548
H 2.609185 -2.777543 0.079230
H 3.720424 -2.656105 -1.282890
H 4.017098 -3.849370 -0.004194
H -3.773194 2.729008 -0.491848
H -0.843449 -0.202893 0.699505
H -5.525304 0.951139 -0.576788
H -2.578027 -1.984211 0.622692
H -4.265202 -3.298523 -0.465480
H -5.985382 -3.303804 0.083680
H -4.665802 -2.981429 1.273332


%chk=000213809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213809

0 1
O 0.874329 1.278786 0.279537
O -5.253226 -1.579283 -0.136986
N 4.178048 -0.482400 0.146766
C 2.832007 -0.100650 0.645181
C 5.235509 0.476355 0.567806
C 4.530502 -1.901122 0.414950
C 2.146918 0.869070 -0.328209
C 0.123913 2.211194 -0.574362
C -1.209301 2.542427 0.120281
C 6.438069 0.510261 -0.394691
C 3.782440 -2.887170 -0.502488
C -2.249912 1.430828 0.072020
C -3.497851 1.635197 -0.575845
C -2.012517 0.167269 0.668837
C -4.474012 0.621534 -0.630885
C -2.979540 -0.862918 0.624005
C -4.216029 -0.633867 -0.029201
C -5.030724 -2.892658 0.468118
H 2.869211 0.367030 1.657101
H 2.201257 -1.002372 0.736304
H 5.589065 0.261062 1.608668
H 4.780806 1.484334 0.598364
H 4.352809 -2.172614 1.487055
H 5.615788 -2.016072 0.240114
H 2.786202 1.762220 -0.510612
H 1.973245 0.366078 -1.303028
H 0.722371 3.140056 -0.713990
H -0.052768 1.754818 -1.573135
H -0.969776 2.810299 1.168450
H -1.624025 3.452119 -0.355031
H 7.183100 1.254800 -0.056595
H 6.102650 0.778694 -1.411603
H 6.947560 -0.468591 -0.453061
H 2.687185 -2.825968 -0.367008
H 4.006657 -2.664859 -1.560254
H 4.088785 -3.927494 -0.284094
H -3.710980 2.604523 -1.043945
H -1.051081 -0.009003 1.161619
H -5.435871 0.778510 -1.128886
H -2.760567 -1.825777 1.096300
H -4.163706 -3.407892 0.009479
H -5.949526 -3.462789 0.265414
H -4.875315 -2.813466 1.562239


