%chk=000201194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201194

0 1
O 3.061445 -3.342950 -0.056395
O -5.390203 0.546904 -1.691019
O -5.952504 2.464033 0.399285
O 4.410674 1.570513 1.923517
O 5.636604 2.484323 -0.528938
N -1.351664 -1.993348 0.184332
N 1.291000 -2.241182 -0.980862
C -0.442416 -0.803106 0.097607
C -0.554221 -3.251343 0.375554
C 0.512796 -0.981536 -1.101059
C 0.413460 -3.432567 -0.812338
C -2.338654 -1.834588 1.305025
C -3.280577 -0.686076 1.030314
C 2.585686 -2.283737 -0.432107
C 3.366070 -1.001341 -0.448049
C -3.911775 -0.585511 -0.219473
C -3.548063 0.252201 2.039180
C -4.803405 0.464476 -0.437765
C -5.060146 1.416081 0.576054
C 3.528375 -0.297558 0.752853
C -4.437030 1.309528 1.820586
C 3.959190 -0.561643 -1.637938
C 4.286390 0.873454 0.731389
C 4.869602 1.334985 -0.473207
C 4.715960 0.614067 -1.660307
C -6.555596 1.418079 -1.727129
C -6.260254 2.726154 -0.998479
C 5.515785 2.518222 1.917740
C 5.487929 3.345808 0.636573
H 0.137269 -0.626552 1.028102
H -1.073753 0.099078 -0.067902
H -1.261532 -4.108590 0.400013
H 0.013967 -3.269378 1.330568
H -0.075836 -1.037782 -2.047587
H 1.187799 -0.104642 -1.189828
H 1.043250 -4.340291 -0.658959
H -0.156886 -3.571290 -1.758267
H -1.850641 -1.716582 2.298155
H -2.940994 -2.773718 1.361330
H -3.702605 -1.307230 -1.011067
H -3.060329 0.166011 3.008453
H 3.094588 -0.651088 1.687415
H -4.647548 2.043195 2.596047
H 3.832888 -1.140124 -2.554423
H 5.183521 0.971330 -2.576287
H -7.397794 0.866810 -1.270759
H -6.717161 1.545942 -2.811976
H -5.398720 3.262432 -1.435798
H -7.136434 3.393961 -0.923125
H 6.452939 1.941681 2.025330
H 5.318413 3.111214 2.828491
H 4.539815 3.901026 0.516948
H 6.352426 4.025846 0.533280


%chk=000201194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201194

0 1
O 3.059635 -2.932129 0.306232
O -5.451917 0.440966 -2.086002
O -6.899528 1.924233 -0.011333
O 6.281806 0.828944 1.650382
O 6.064368 2.682474 -0.607476
N -1.538663 -1.785332 0.464511
N 1.196268 -1.758540 -0.457147
C -0.719963 -0.554616 0.569261
C -0.688165 -2.994214 0.599696
C 0.375192 -0.529346 -0.519702
C 0.395002 -3.002430 -0.495436
C -2.694530 -1.787003 1.392200
C -3.773687 -0.779591 1.007337
C 2.542183 -1.835220 -0.092239
C 3.397374 -0.599985 -0.220888
C -4.113494 -0.584106 -0.351202
C -4.495104 -0.075393 2.004670
C -5.149730 0.297293 -0.708924
C -5.861189 1.010997 0.296668
C 4.403091 -0.400075 0.754142
C -5.532468 0.814059 1.652070
C 3.331507 0.275935 -1.338668
C 5.297052 0.678063 0.645669
C 5.202792 1.574057 -0.457792
C 4.231315 1.353306 -1.455308
C -6.767216 1.072701 -2.323231
C -6.921875 2.313130 -1.437824
C 7.389703 1.717838 1.239161
C 6.828345 3.001277 0.620250
H -0.233947 -0.473939 1.576098
H -1.378946 0.322424 0.439039
H -1.325004 -3.891567 0.488588
H -0.190552 -3.045871 1.600769
H -0.110912 -0.462119 -1.513431
H 1.013307 0.354957 -0.375336
H 1.084034 -3.849975 -0.353015
H -0.093278 -3.075228 -1.486855
H -2.384039 -1.601777 2.452258
H -3.123634 -2.809368 1.366689
H -3.565734 -1.120353 -1.132493
H -4.242326 -0.216385 3.062013
H 4.508369 -1.106383 1.582785
H -6.088653 1.373987 2.410411
H 2.600659 0.098046 -2.134149
H 4.196867 2.035089 -2.310542
H -7.569385 0.341339 -2.103587
H -6.781543 1.333161 -3.393720
H -6.101115 3.030367 -1.634257
H -7.894657 2.806459 -1.594392
H 8.033554 1.186776 0.511449
H 7.958381 1.926279 2.159271
H 6.161173 3.515959 1.338297
H 7.630382 3.684431 0.298132


