%chk=000181962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181962

0 1
O 0.903708 -0.700893 -1.299925
O -3.970629 2.265948 -0.124026
N 1.075540 -0.783318 0.116155
N -1.821522 -0.435020 0.506549
N -3.134858 0.157002 0.468996
C 2.567201 -1.023429 0.322916
C -0.902538 0.680306 0.447033
C 0.569776 0.516951 0.669897
C 3.415412 0.074791 -0.378252
C -1.556525 1.835238 0.126491
C -0.990575 3.186741 -0.188911
C 2.851468 -2.407375 -0.281224
C 2.827149 -1.047981 1.837122
C -3.009076 1.570559 0.092738
C 4.896127 -0.153862 -0.279914
C -1.649396 -1.369558 1.655806
C -1.385642 3.604127 -1.611135
C -1.478338 4.212862 0.842177
C -4.233617 -0.670977 0.037794
C 5.622696 0.356945 0.807670
C 5.570888 -0.863733 -1.286479
C -5.532660 -0.156396 0.224858
C -4.046082 -1.950683 -0.512752
C 7.002595 0.152181 0.889083
C 6.950436 -1.065362 -1.199917
C 7.669856 -0.559917 -0.112213
C -6.632196 -0.938996 -0.124104
C -5.163079 -2.720080 -0.847883
C -6.454339 -2.223074 -0.652829
H 0.773409 0.526922 1.768270
H 1.095211 1.402910 0.230897
H 3.103745 0.123639 -1.447011
H 3.160171 1.070487 0.035367
H 0.128361 3.128974 -0.135080
H 3.899083 -2.694909 -0.138830
H 2.224549 -3.181465 0.175793
H 2.642162 -2.418386 -1.359269
H 3.844927 -1.411290 2.038848
H 2.136985 -1.725491 2.353670
H 2.746153 -0.060413 2.299711
H -0.682826 -1.892367 1.524574
H -2.450838 -2.129225 1.645715
H -1.667765 -0.877288 2.640003
H -2.478514 3.678860 -1.712424
H -1.039614 2.877085 -2.353320
H -0.966016 4.579876 -1.872967
H -1.199381 3.927868 1.860643
H -2.574627 4.303694 0.816871
H -1.065652 5.206320 0.642219
H 0.026738 -1.180593 -1.447643
H 5.113593 0.916821 1.588559
H 5.017862 -1.256993 -2.137722
H -5.671099 0.853152 0.620357
H -3.045543 -2.337589 -0.695157
H 7.560089 0.551298 1.734921
H 7.467324 -1.616540 -1.984083
H 8.743967 -0.717381 -0.047406
H -7.638200 -0.543831 0.016436
H -5.021626 -3.713720 -1.271463
H -7.318507 -2.827620 -0.916899


%chk=000181962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181962

0 1
O 0.879121 -0.500880 -1.409204
O -4.021143 2.318944 -0.257440
N 1.060945 -0.711368 0.078713
N -1.807332 -0.356344 0.557568
N -3.120520 0.182210 0.358822
C 2.535603 -1.027035 0.294352
C -0.915179 0.740331 0.444037
C 0.555946 0.547071 0.714200
C 3.453890 0.116947 -0.281668
C -1.591728 1.898475 0.104395
C -1.040384 3.269054 -0.231884
C 2.797854 -2.372837 -0.418080
C 2.748230 -1.210925 1.817733
C -3.029167 1.587094 0.044884
C 4.949195 -0.154523 -0.216756
C -1.662286 -1.311169 1.686858
C -1.355596 3.640459 -1.707338
C -1.596034 4.345970 0.740081
C -4.219682 -0.678972 0.068949
C 5.713299 0.217315 0.921648
C 5.626151 -0.772060 -1.302217
C -5.540183 -0.213360 0.302670
C -4.007731 -1.977549 -0.465781
C 7.102732 -0.033067 0.982767
C 7.015045 -1.024639 -1.247264
C 7.759871 -0.658672 -0.101899
C -6.633680 -1.052955 0.004909
C -5.112221 -2.811307 -0.740787
C -6.430383 -2.356168 -0.506963
H 0.741311 0.451682 1.801131
H 1.087564 1.451978 0.358666
H 3.139994 0.279261 -1.328778
H 3.236474 1.047955 0.277502
H 0.062241 3.240373 -0.116810
H 3.831454 -2.710538 -0.235196
H 2.101363 -3.140297 -0.035024
H 2.645594 -2.275332 -1.505568
H 3.750523 -1.635235 1.995837
H 1.999736 -1.911673 2.230560
H 2.691002 -0.258944 2.376248
H -0.643933 -1.725761 1.629909
H -2.389713 -2.129382 1.575724
H -1.827837 -0.814701 2.663731
H -2.447439 3.661713 -1.868429
H -0.912266 2.907286 -2.405264
H -0.947211 4.639774 -1.946993
H -1.334565 4.115341 1.789377
H -2.695639 4.396791 0.659853
H -1.180761 5.339693 0.489597
H 0.061406 -1.034081 -1.593081
H 5.215940 0.717141 1.762510
H 5.058688 -1.049169 -2.199006
H -5.692242 0.797097 0.687516
H -2.989774 -2.311440 -0.692288
H 7.672610 0.266604 1.869804
H 7.516700 -1.498834 -2.098597
H 8.838004 -0.849644 -0.059278
H -7.650974 -0.685958 0.180222
H -4.941159 -3.812154 -1.152989
H -7.285824 -3.003782 -0.726890


