%chk=000186050.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186050

0 1
O -4.908535 0.271417 0.767622
O -3.101172 -2.423121 -0.555701
O 0.139147 2.651066 0.897441
O 1.121673 -3.916326 0.016203
O 4.962910 1.420981 0.105071
O 5.230797 -1.425092 -0.059946
N 0.415791 -1.778985 -0.411205
N -2.175614 2.397170 -0.728768
C -3.535288 0.546834 0.283017
C -2.475635 0.075660 1.277128
C -1.565589 -1.093157 0.857729
C -0.709397 -0.770073 -0.377667
C -0.019788 0.634937 -0.382854
C -4.461951 -0.410765 -0.445251
C -2.240099 -2.456265 0.610648
C -1.532867 1.199400 1.734769
C -3.523953 1.979758 -0.259588
C -0.465393 1.608361 0.732478
C -0.247862 1.330606 -1.745903
C -4.419771 -1.917507 -0.327209
C 1.451406 0.303592 -0.233584
C -1.234093 -3.544493 0.202929
C 1.669310 -1.095783 -0.294013
C -1.728293 1.682068 -1.965100
C 0.200272 -3.126224 -0.048587
C 2.523378 1.172364 -0.087888
C 2.943165 -1.645857 -0.230235
C -2.084896 3.878015 -0.875402
C 3.817663 0.640760 -0.010196
C 4.031614 -0.761933 -0.090793
C 4.783769 2.750811 0.651869
C 6.443424 -0.650138 0.124262
H -3.063710 -0.262790 2.179636
H -0.871305 -1.254148 1.734419
H -1.329021 -0.913101 -1.302149
H -4.960259 -0.048573 -1.354309
H -2.838611 -2.768438 1.493869
H -1.015521 0.903411 2.672973
H -2.108798 2.107728 2.015146
H -4.314425 2.098085 -1.034815
H -3.835866 2.651159 0.579220
H 0.120733 0.685514 -2.566278
H 0.372272 2.251188 -1.778802
H -4.815325 -2.250338 0.652360
H -4.998139 -2.405267 -1.138949
H -1.611403 -4.031547 -0.735017
H -1.222924 -4.364311 0.952778
H -1.846854 2.285267 -2.888711
H -2.321235 0.755043 -2.122566
H 2.339048 2.246966 -0.018904
H 3.108806 -2.726749 -0.274629
H -2.711143 4.302724 -1.671330
H -1.027550 4.140278 -1.068522
H -2.346281 4.361229 0.080726
H 4.254462 2.709970 1.608192
H 4.260533 3.384339 -0.070376
H 5.820911 3.080268 0.785095
H 7.212750 -1.429442 0.087258
H 6.420615 -0.144003 1.093996
H 6.555918 0.071955 -0.692587


%chk=000186050-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186050

0 1
O -5.016089 0.401935 0.974736
O -3.299885 -2.449098 -0.582801
O 0.141545 2.701207 0.886483
O 1.206508 -3.949116 -0.066495
O 5.024285 1.542387 -0.033717
O 5.392310 -1.262624 -0.186442
N 0.477311 -1.754212 -0.412258
N -2.215226 2.358561 -0.734802
C -3.615057 0.550430 0.366341
C -2.479816 0.017179 1.273530
C -1.579221 -1.146978 0.757463
C -0.668648 -0.782579 -0.433575
C -0.009912 0.646048 -0.440188
C -4.624526 -0.375856 -0.258927
C -2.234904 -2.517892 0.445681
C -1.505522 1.129931 1.743583
C -3.531474 1.978616 -0.197188
C -0.509228 1.625290 0.682501
C -0.260312 1.344191 -1.814570
C -4.562500 -1.887005 -0.091900
C 1.482784 0.334460 -0.282025
C -1.209511 -3.532219 -0.138039
C 1.717675 -1.056895 -0.327671
C -1.760172 1.666908 -1.964267
C 0.262835 -3.107762 -0.189527
C 2.557868 1.231733 -0.168014
C 3.022725 -1.585397 -0.263402
C -1.974752 3.815014 -0.730695
C 3.879273 0.725219 -0.110695
C 4.108851 -0.688812 -0.154409
C 4.811488 2.991435 -0.043691
C 6.324994 -0.916392 0.905775
H -3.005729 -0.368850 2.171046
H -0.897666 -1.348239 1.613324
H -1.245141 -0.936800 -1.366654
H -5.120532 -0.013245 -1.171651
H -2.687084 -2.914839 1.381152
H -0.906693 0.734402 2.590728
H -2.037010 2.014693 2.137549
H -4.351742 2.115223 -0.939753
H -3.754803 2.666898 0.639543
H 0.089706 0.696095 -2.640132
H 0.340318 2.271539 -1.846596
H -4.717651 -2.139702 0.977166
H -5.352512 -2.370925 -0.691017
H -1.538977 -3.743920 -1.174230
H -1.238127 -4.491932 0.401721
H -1.943800 2.282699 -2.871255
H -2.344320 0.736146 -2.082468
H 2.346898 2.301543 -0.100946
H 3.207713 -2.659795 -0.287733
H -2.686866 4.359076 -1.389073
H -0.944295 4.021162 -1.060366
H -2.059980 4.201379 0.299251
H 4.216239 3.319078 0.830419
H 4.307190 3.313918 -0.975196
H 5.819158 3.430315 0.004579
H 7.228191 -1.512468 0.704068
H 5.895588 -1.207127 1.884423
H 6.560030 0.160464 0.900307


