%chk=000189236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189236

0 1
O 0.991274 0.004400 -0.345338
O 3.936805 -0.089582 0.718191
O 1.849720 2.520499 -0.705497
O 4.997263 2.238647 1.018583
O 4.347402 -2.601025 0.668230
N 3.301386 -2.388069 -1.871247
C 2.234565 -0.370208 -0.984253
C 3.303976 0.581631 -0.400323
C 2.533386 -1.865436 -0.711376
C 2.725702 1.876418 0.222012
C -2.705462 -0.337522 -0.726391
C -1.341721 0.081550 -0.166785
C -3.850030 0.194316 0.146790
C -0.206541 -0.448032 -1.040173
C -5.217995 -0.224025 -0.408808
C -6.362374 0.307594 0.464324
C 3.847852 2.900839 0.477213
C -7.732172 -0.109872 -0.089229
C 3.255840 -2.064574 0.637937
C -8.874779 0.416613 0.776179
H 2.137756 -0.195154 -2.084462
H 4.069170 0.804908 -1.175465
H 1.548960 -2.406250 -0.655473
H 2.166386 1.621025 1.150946
H -2.821655 0.034906 -1.763233
H -2.766681 -1.441606 -0.791682
H -1.213460 -0.289358 0.870933
H -1.275869 1.185051 -0.089230
H -3.736808 -0.175354 1.184538
H -3.793222 1.298348 0.213076
H -0.189928 -1.550872 -1.096037
H -0.210231 -0.024282 -2.058889
H -5.277403 -1.327642 -0.474644
H -5.333623 0.146581 -1.445751
H -6.306412 1.411216 0.531065
H -6.249889 -0.061343 1.501968
H 4.218995 3.348457 -0.465494
H 3.519042 3.704885 1.157033
H -7.848166 0.260959 -1.126512
H -7.791548 -1.213989 -0.154536
H 4.923401 -0.099360 0.596180
H 3.284610 -3.406741 -1.867754
H 4.285672 -2.129164 -1.779392
H 2.685632 -1.790863 1.534409
H 1.010694 1.987272 -0.773894
H -8.812494 0.037306 1.802512
H -9.848109 0.114091 0.373739
H -8.869026 1.511201 0.831059
H 4.764411 1.800607 1.869551


%chk=000189236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189236

0 1
O 1.048459 0.010272 -0.267868
O 4.307511 -0.220680 0.269161
O 1.913233 2.595150 -0.466171
O 5.209632 2.175049 1.225973
O 3.355403 -3.400656 0.654225
N 3.802390 -2.035187 -1.902406
C 2.258009 -0.286097 -1.083348
C 3.422999 0.602586 -0.571691
C 2.619411 -1.797057 -1.057509
C 2.952226 1.844219 0.238788
C -2.742559 -0.471662 -0.539049
C -1.377998 0.099501 -0.087890
C -3.935561 0.203935 0.173991
C -0.200269 -0.580194 -0.793497
C -5.307362 -0.339169 -0.285214
C -6.499384 0.333620 0.431985
C 4.110345 2.831457 0.463739
C -7.873842 -0.196347 -0.036693
C 2.745768 -2.336891 0.386347
C -9.058273 0.480880 0.686110
H 2.039792 -0.015284 -2.136387
H 3.983888 0.950760 -1.464616
H 1.765578 -2.340265 -1.516203
H 2.580159 1.475526 1.219679
H -2.854299 -0.345672 -1.636278
H -2.771841 -1.564002 -0.344522
H -1.259672 -0.027810 1.005740
H -1.345117 1.188855 -0.289931
H -3.833765 0.064172 1.270383
H -3.896786 1.298696 -0.004944
H -0.214021 -1.672087 -0.596473
H -0.247906 -0.423187 -1.893966
H -5.346527 -1.435027 -0.111421
H -5.410564 -0.194382 -1.381209
H -6.455926 1.430735 0.266894
H -6.403715 0.180806 1.527544
H 4.557080 3.132930 -0.497329
H 3.744382 3.732570 0.988795
H -7.969278 -0.041854 -1.131043
H -7.916725 -1.292641 0.126998
H 4.940982 0.413580 0.724328
H 3.896645 -3.021675 -2.169773
H 4.646214 -1.711758 -1.408062
H 2.217294 -1.750317 1.175289
H 1.136740 1.966508 -0.489219
H -9.005396 0.311321 1.778281
H -10.028880 0.089039 0.330227
H -9.052329 1.574353 0.516805
H 5.058158 2.292375 2.196032


