%chk=000235485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235485

0 1
O 2.724647 -0.358386 1.439607
O 1.930415 2.561959 0.266263
O 2.852313 0.076103 -1.973225
O 6.066364 -0.334477 0.156512
N 0.454995 -0.654982 1.004008
N -0.624340 -2.684632 1.101206
N -1.427632 0.747546 0.152905
N -3.497036 -0.582158 -0.188125
N -3.488550 1.778483 -0.454273
N -3.605666 -2.900790 0.211345
C 1.718996 1.203433 -0.111679
C 1.516924 0.362532 1.181599
C 3.054216 0.704870 -0.718749
C 3.648831 -0.280582 0.312925
C 4.980230 0.173592 0.930682
C -0.858493 -0.421405 0.573707
C 0.531429 -2.062244 1.322120
C -1.513764 -1.698937 0.634458
C -2.880654 -1.736972 0.227470
C -2.772451 0.610761 -0.183981
C -2.727345 3.010953 -0.777248
C -4.804460 1.663268 -1.131341
H 0.876165 1.133421 -0.835719
H 1.327976 0.974309 2.097252
H 3.724236 1.560628 -0.972015
H 3.731600 -1.313896 -0.092254
H 5.128149 -0.297392 1.926052
H 5.056452 1.269412 1.034862
H 1.062570 3.027104 0.325429
H 2.239489 -0.691273 -1.903768
H 1.453322 -2.490001 1.694936
H 6.087004 0.085282 -0.730004
H -3.190617 -3.758337 0.543441
H -4.578514 -2.901014 -0.047243
H -3.405994 3.878766 -0.762029
H -2.230137 2.960966 -1.759611
H -1.949230 3.179476 -0.008289
H -4.713410 1.418642 -2.201837
H -5.358494 2.608549 -1.019906
H -5.405036 0.862825 -0.653782


%chk=000235485-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235485

0 1
O 2.687306 -0.343797 1.573311
O 2.365588 2.341843 -0.061353
O 2.594686 -1.005069 -1.602299
O 6.094598 0.466736 0.194526
N 0.432564 -0.716433 0.879920
N -0.665676 -2.732027 0.919982
N -1.412722 0.747708 0.107603
N -3.491642 -0.530820 -0.269170
N -3.405870 1.797893 -0.617525
N -3.642558 -2.859089 0.068968
C 1.857786 0.984156 -0.277118
C 1.485269 0.308366 1.075483
C 3.043671 0.121063 -0.780852
C 3.760943 -0.315110 0.517194
C 4.878269 0.632261 1.002365
C -0.878292 -0.450643 0.464155
C 0.500282 -2.104636 1.154337
C -1.532522 -1.709264 0.490371
C -2.903646 -1.705067 0.092653
C -2.746623 0.635744 -0.247584
C -2.726364 3.096946 -0.625206
C -4.814489 1.792324 -1.029042
H 1.012232 0.972376 -0.985892
H 1.137682 1.042903 1.824544
H 3.689620 0.711160 -1.448679
H 4.161775 -1.339386 0.418798
H 5.168860 0.338059 2.022800
H 4.517710 1.678306 1.011573
H 1.602049 2.950247 0.103024
H 1.989488 -1.590099 -1.075643
H 1.405173 -2.558939 1.547466
H 5.978527 0.917704 -0.679021
H -3.207198 -3.737537 0.342094
H -4.618128 -2.823263 -0.216912
H -3.265582 3.817401 0.021324
H -2.688718 3.514572 -1.651547
H -1.702501 2.964621 -0.249463
H -4.918192 2.173725 -2.064606
H -5.416741 2.438303 -0.359372
H -5.192114 0.762167 -0.979507


