%chk=000185394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185394

0 1
O -1.385293 1.243761 0.355675
O -1.740827 3.913470 -0.845280
O 4.575761 0.974569 -0.340728
O 2.311560 -0.497996 -0.225712
N -3.403407 -2.871941 -0.168777
N 1.667252 2.553423 -0.468755
C -2.437254 -0.813100 0.221099
C -2.161770 -1.173604 -1.152086
C -3.207552 -1.872859 0.803909
C -2.774655 -2.455919 -1.373938
C -2.127000 0.303725 1.019466
C -0.603605 3.412151 -0.139108
C -1.073565 2.507163 1.016031
C 0.338607 2.695865 -1.130804
C -3.643969 -1.826706 2.139658
C -1.467180 -0.546777 -2.187148
C -2.551379 0.362823 2.349125
C -2.695441 -3.100427 -2.612055
C -3.303026 -0.701807 2.883630
C 2.741129 2.174936 -1.438515
C -1.390471 -1.192643 -3.420883
C -1.995806 -2.447074 -3.627127
C 4.101234 2.291843 -0.740482
C 4.114716 0.523251 0.888152
C 2.968994 -0.317100 0.967801
C 4.855499 0.806731 2.034505
C 2.592698 -0.865679 2.197268
C 4.472279 0.251754 3.263451
C 3.352248 -0.575337 3.338857
C 1.160460 -1.380453 -0.230476
H -0.134684 4.343325 0.265378
H -3.924584 -3.718886 -0.047707
H -1.979161 2.911567 1.500045
H -0.281212 2.317613 1.758808
H 0.433777 3.331949 -2.039340
H -0.109188 1.725365 -1.462964
H -4.225271 -2.633206 2.569461
H -0.996881 0.428323 -2.013112
H -2.314099 1.212612 2.978366
H -3.159078 -4.066829 -2.779712
H 1.604811 1.813579 0.247396
H -3.627187 -0.634055 3.924548
H 2.628612 1.133769 -1.828500
H 2.707660 2.861467 -2.310741
H -0.855956 -0.721842 -4.244173
H -1.914688 -2.918306 -4.606644
H 4.898421 2.590453 -1.446336
H 4.086141 2.973792 0.126068
H -2.276433 3.175543 -1.211882
H 5.733729 1.446338 1.958077
H 1.724165 -1.512432 2.280068
H 5.055508 0.468103 4.155610
H 3.057747 -1.005871 4.295513
H 1.427593 -2.372735 0.140346
H 0.340677 -0.930803 0.341029
H 0.914148 -1.419177 -1.300755


%chk=000185394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185394

0 1
O -1.585989 1.286919 -0.249152
O -1.698800 3.773478 -1.628682
O 4.150108 1.237103 0.057088
O 2.163237 -0.535446 0.418057
N -3.527705 -2.972734 -0.173952
N 1.745849 2.485767 -0.691820
C -2.577997 -0.882702 -0.085634
C -2.646378 -1.289567 -1.481750
C -3.128261 -1.949422 0.701246
C -3.247628 -2.598395 -1.500027
C -2.103167 0.280283 0.575440
C -0.575802 3.415129 -0.746268
C -1.044644 2.509069 0.394476
C 0.595600 2.800039 -1.559542
C -3.205601 -1.892865 2.111210
C -2.258318 -0.690374 -2.705251
C -2.166694 0.353997 1.986785
C -3.470848 -3.304363 -2.700008
C -2.714465 -0.726424 2.732484
C 3.044070 3.089436 -1.032240
C -2.477424 -1.392591 -3.909752
C -3.078159 -2.682702 -3.905975
C 4.068501 2.723845 0.046732
C 4.092019 0.585793 1.300514
C 3.070935 -0.398331 1.479337
C 5.016514 0.833950 2.335734
C 3.018515 -1.136925 2.684888
C 4.951852 0.102909 3.545754
C 3.958995 -0.885235 3.712324
C 1.125441 -1.568231 0.544817
H -0.240407 4.370252 -0.304723
H -3.962243 -3.847339 0.110291
H -1.848836 2.999495 0.975732
H -0.189517 2.249537 1.046304
H 0.875859 3.533580 -2.338980
H 0.221194 1.897258 -2.086440
H -3.628745 -2.712014 2.700862
H -1.792513 0.299364 -2.707103
H -1.800558 1.236046 2.518027
H -3.930452 -4.298843 -2.704890
H 1.852540 1.479488 -0.497868
H -2.755850 -0.641705 3.824091
H 3.440234 2.760569 -2.023664
H 2.950404 4.193745 -1.066363
H -2.181508 -0.941228 -4.862850
H -3.237911 -3.205209 -4.855815
H 5.066986 3.135878 -0.193975
H 3.733451 3.082556 1.038378
H -2.171977 2.932406 -1.861866
H 5.797712 1.586294 2.178829
H 2.243219 -1.893760 2.837116
H 5.678159 0.298500 4.341443
H 3.906485 -1.462529 4.641752
H 1.579780 -2.571254 0.655684
H 0.451710 -1.359390 1.397668
H 0.553831 -1.517408 -0.392875


