%chk=000198910.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198910

0 1
O 4.626368 -0.798512 0.978571
O -0.740702 3.040236 -1.938592
O 0.784346 -2.485995 -1.195980
O 1.165602 -3.197743 0.910604
O -5.267596 -1.874382 0.599926
N 1.432502 2.127078 0.518956
N -2.465194 1.545204 -1.657021
C 0.518084 0.982111 0.182066
C -0.886448 1.646039 0.159523
C 1.035285 0.355319 -1.112896
C 3.382742 0.911612 -0.326254
C 2.454824 -0.206052 -0.890257
C -0.783852 2.798730 1.190799
C 2.777707 1.627260 0.910476
C 0.714795 2.958867 1.535813
C -2.001316 0.665567 0.433443
C 4.757681 0.336314 0.042331
C -1.256794 2.208819 -1.240576
C 2.508149 -1.413436 0.013785
C -2.907341 0.635699 -0.668986
C -2.228122 -0.154363 1.529453
C 5.565376 -0.153324 -1.147126
C 3.550006 -1.606807 0.859806
C -4.030407 -0.186220 -0.696605
C 1.452993 -2.431050 0.012234
C -3.345672 -0.995054 1.539027
C -4.223592 -0.997534 0.437469
C -0.309188 -3.439634 -1.279785
C -6.259580 -1.964217 -0.452027
H 0.506424 0.193274 0.982703
H 1.069888 1.117179 -1.920667
H 0.348380 -0.440483 -1.465750
H 3.510022 1.679204 -1.131619
H 2.851073 -0.521421 -1.891711
H -1.379505 2.571074 2.090914
H -1.191437 3.739156 0.778792
H 2.763833 0.938042 1.782917
H 3.406738 2.499370 1.188598
H 1.052068 4.008225 1.407570
H 0.916674 2.666622 2.584308
H 5.351843 1.034058 0.677994
H -2.939644 1.712816 -2.531679
H -1.544171 -0.150422 2.379004
H 5.843873 0.671460 -1.813598
H 6.491755 -0.643689 -0.817317
H 5.015419 -0.892089 -1.745724
H 3.660966 -2.430518 1.571843
H -4.707700 -0.193975 -1.538336
H -3.548269 -1.650482 2.382306
H -0.500496 -3.491858 -2.355622
H -1.164929 -3.038397 -0.727236
H -0.004146 -4.408149 -0.868462
H -6.762470 -1.001797 -0.582781
H -6.948705 -2.716077 -0.044547
H -5.798937 -2.315951 -1.379279


%chk=000198910-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198910

0 1
O 4.654831 -0.733331 1.014705
O -0.746357 3.121761 -1.978385
O 0.770873 -2.557891 -1.185985
O 1.511946 -3.492077 0.814125
O -5.372094 -1.836338 0.640933
N 1.405983 2.121523 0.613067
N -2.457485 1.526725 -1.672459
C 0.491890 1.044749 0.176633
C -0.923237 1.741563 0.143953
C 1.007096 0.398081 -1.112245
C 3.368334 0.932606 -0.338489
C 2.437293 -0.188376 -0.911109
C -0.739239 2.965625 1.123123
C 2.758199 1.627607 0.909367
C 0.693739 2.823207 1.699449
C -2.048668 0.767586 0.462366
C 4.767011 0.383120 0.002043
C -1.309932 2.240072 -1.281667
C 2.530197 -1.423184 -0.008885
C -2.920155 0.662294 -0.651041
C -2.310291 -0.010251 1.604372
C 5.578651 -0.131962 -1.193643
C 3.583632 -1.585981 0.861524
C -4.046485 -0.181354 -0.669937
C 1.588943 -2.565680 -0.038341
C -3.432927 -0.868259 1.627117
C -4.291033 -0.950477 0.500124
C -0.197828 -3.674794 -1.272000
C -6.303181 -1.959824 -0.481565
H 0.422996 0.250076 0.968661
H 1.063551 1.176510 -1.895618
H 0.325993 -0.398189 -1.450878
H 3.480957 1.706716 -1.122170
H 2.801295 -0.464925 -1.922238
H -1.513668 2.974415 1.907753
H -0.810162 3.899393 0.540398
H 2.758315 0.917208 1.775798
H 3.397593 2.486820 1.190536
H 1.165070 3.798099 1.917355
H 0.679416 2.224005 2.647686
H 5.350301 1.141537 0.555502
H -2.911350 1.679232 -2.572952
H -1.654005 0.040598 2.480446
H 5.764127 0.693167 -1.905444
H 6.552545 -0.523379 -0.853928
H 5.049970 -0.939875 -1.728224
H 3.650073 -2.448937 1.530957
H -4.699881 -0.237465 -1.545060
H -3.664976 -1.483053 2.501149
H -0.691092 -3.542651 -2.245817
H -0.927177 -3.611790 -0.446381
H 0.325658 -4.643881 -1.216759
H -6.795777 -0.993322 -0.706072
H -7.056307 -2.689902 -0.150859
H -5.793969 -2.337440 -1.390196


