%chk=000215711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215711

0 1
O -2.823702 3.042264 1.022388
O -2.168244 -3.201059 0.054853
O 0.149324 -5.006377 1.151404
N 1.809379 -2.176864 -0.466915
N 3.375074 0.198883 -1.019077
C -4.678033 2.307815 2.319386
C -5.272521 3.702754 2.452916
C -6.027276 2.637799 1.694139
C -3.487887 2.106217 1.421693
C 2.799204 -2.141641 -1.593969
C 2.274702 -1.275628 0.639573
C 2.916919 -0.698663 -2.124744
C 2.396809 0.167859 0.112208
C 1.606914 -3.574549 0.026040
C -3.142636 0.704190 1.065366
C 0.170548 -3.685435 0.577085
C 3.915355 1.467061 -1.387210
C -0.891774 -3.580259 -0.527156
C -4.033523 -0.366706 1.265862
C -1.884647 0.460086 0.486335
C -2.398436 -1.879258 0.350494
C 4.531736 1.641930 -2.648206
C 3.957205 2.530355 -0.455844
C -3.674081 -1.661297 0.915052
C -1.495602 -0.829684 0.130814
C 5.172040 2.841251 -2.954458
C 4.602354 3.721856 -0.782053
C 5.210907 3.889167 -2.029749
H -4.650221 1.666366 3.209230
H -4.799165 4.520972 1.904316
H -5.626756 4.039528 3.423932
H -6.927377 2.199854 2.120442
H -6.109243 2.709383 0.609920
H 3.804631 -2.513466 -1.296087
H 2.428152 -2.799172 -2.409179
H 3.246896 -1.596909 1.075537
H 1.521701 -1.303106 1.456635
H 1.941928 -0.365087 -2.545561
H 3.661390 -0.676469 -2.953682
H 2.761501 0.824895 0.935391
H 1.398423 0.550408 -0.197500
H 2.320806 -3.889525 0.820029
H 1.741212 -4.310211 -0.796609
H -0.027413 -2.947569 1.387324
H -0.605958 -2.873791 -1.327351
H -1.139905 -4.567353 -0.963754
H -5.021560 -0.182882 1.693694
H -1.208709 1.305301 0.315325
H 4.523381 0.837385 -3.380616
H 3.497827 2.423163 0.524686
H -4.348225 -2.502366 1.057648
H -0.515602 -1.007650 -0.315968
H -0.730762 -5.191665 1.541253
H 5.646271 2.961591 -3.928406
H 4.628899 4.532859 -0.054081
H 5.708070 4.821948 -2.277298


%chk=000215711-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215711

0 1
O -3.049259 2.935344 1.209995
O -2.148374 -3.366985 0.119987
O 0.225907 -4.955286 1.345531
N 1.937442 -2.201999 -0.495307
N 3.386420 0.228613 -1.128384
C -5.184447 2.224912 2.042125
C -5.296664 3.419743 3.027342
C -5.890053 3.549517 1.638838
C -3.838523 1.960097 1.440230
C 2.898997 -2.161535 -1.627225
C 2.396311 -1.276166 0.573232
C 2.994233 -0.732187 -2.185059
C 2.502177 0.167354 0.048788
C 1.678544 -3.575895 0.005867
C -3.423704 0.558427 1.109017
C 0.270610 -3.676805 0.619979
C 3.988318 1.464693 -1.489007
C -0.812485 -3.621971 -0.467880
C -4.234380 -0.589764 1.340073
C -2.140478 0.365451 0.528743
C -2.493591 -2.043477 0.428736
C 4.972470 1.519411 -2.523202
C 3.670753 2.680114 -0.810932
C -3.778236 -1.875063 1.004978
C -1.664543 -0.913054 0.189057
C 5.605622 2.732110 -2.857144
C 4.320943 3.887313 -1.146917
C 5.291357 3.930215 -2.171888
H -5.836278 1.372173 2.239161
H -4.361293 3.952180 3.219489
H -5.964686 3.295948 3.884123
H -6.976118 3.515651 1.516303
H -5.344511 4.166652 0.919906
H 3.917281 -2.499830 -1.312882
H 2.539897 -2.837810 -2.424848
H 3.394175 -1.590732 0.968043
H 1.678208 -1.296341 1.412898
H 2.002735 -0.450384 -2.610514
H 3.728410 -0.712310 -3.004821
H 2.924630 0.793593 0.853226
H 1.479248 0.549898 -0.184614
H 2.415976 -3.903058 0.774122
H 1.753921 -4.287583 -0.838196
H 0.114093 -2.837956 1.330101
H -0.569355 -2.860906 -1.230497
H -0.913475 -4.612890 -0.941595
H -5.230534 -0.491445 1.781818
H -1.525692 1.254976 0.353153
H 5.271030 0.605914 -3.047729
H 2.898368 2.699207 -0.036717
H -4.397180 -2.761612 1.172699
H -0.667562 -1.020384 -0.251457
H -0.688838 -5.078800 1.706890
H 6.362097 2.737534 -3.650728
H 4.051198 4.803777 -0.609060
H 5.789185 4.869908 -2.432351


