%chk=000235465.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235465

0 1
O -5.253874 2.868156 0.579004
O 3.689117 -3.163464 -0.366181
N 3.881305 0.830127 0.375888
C -3.634559 -0.242522 0.254456
C -3.495164 1.274830 -0.082934
C -2.374129 -0.992029 -0.187780
C -1.192429 -0.443176 0.667949
C -2.364724 1.850241 0.777303
C -5.011918 -0.632379 -0.315661
C -1.055407 1.088461 0.503585
C -2.478028 -2.509707 0.013772
C -4.925989 1.769191 0.214088
C -5.886364 0.610411 -0.047360
C 0.089201 -1.184338 0.350579
C -3.261572 1.582486 -1.569423
C -1.221462 -3.194506 -0.535541
C 0.060064 -2.484873 -0.186918
C 1.328976 -0.595730 0.655069
C 1.263829 -3.166553 -0.437965
C 2.538852 -1.248699 0.416389
C 2.476770 -2.543453 -0.139352
C 3.863864 -0.622442 0.762854
C 3.879887 0.978872 -1.117968
C 5.079778 1.503791 0.980919
C 3.849454 2.468676 -1.496228
C 5.064882 3.002272 0.634706
C 5.039058 3.218234 -0.883489
H -3.709190 -0.343247 1.370006
H -2.170575 -0.788801 -1.266100
H -1.420855 -0.649920 1.747480
H -2.628897 1.792317 1.849976
H -2.227757 2.928359 0.566538
H -5.418952 -1.530846 0.173183
H -4.955935 -0.858958 -1.393347
H -0.696487 1.317940 -0.519013
H -0.268653 1.465681 1.187437
H -3.375570 -2.907960 -0.493947
H -2.604159 -2.749108 1.086986
H -6.552219 0.466787 0.822128
H -6.552593 0.846303 -0.894469
H -2.284942 1.208173 -1.902661
H -4.019877 1.125582 -2.213655
H -3.272855 2.664610 -1.750414
H -1.290401 -3.267398 -1.642874
H -1.183810 -4.241473 -0.169601
H 1.366958 0.411744 1.086373
H 1.248305 -4.166487 -0.857645
H 4.004976 -0.690387 1.867230
H 4.694749 -1.207256 0.302201
H 2.966320 0.475769 -1.504909
H 4.749785 0.482091 -1.598393
H 6.039639 1.050247 0.652866
H 5.018508 1.379071 2.083677
H 2.902219 2.918622 -1.137610
H 3.849923 2.573012 -2.595891
H 5.945903 3.495971 1.082211
H 4.172439 3.474703 1.092138
H 3.572257 -4.061333 -0.758382
H 5.985245 2.865473 -1.335087
H 4.970583 4.297044 -1.114195


%chk=000235465-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235465

0 1
O -5.151866 3.037492 0.414920
O 3.718398 -3.462840 -0.301373
N 3.970972 0.741064 0.284224
C -3.608941 -0.187760 0.214545
C -3.462573 1.306037 -0.211680
C -2.372890 -1.020300 -0.165311
C -1.126644 -0.399926 0.547931
C -2.264347 1.934127 0.527986
C -5.025530 -0.586114 -0.278631
C -0.968516 1.121622 0.253418
C -2.485079 -2.510223 0.222194
C -4.862157 1.850714 0.129639
C -5.870372 0.678896 0.052963
C 0.142930 -1.223180 0.270216
C -3.325102 1.510432 -1.756366
C -1.280605 -3.298338 -0.332074
C 0.056821 -2.596339 -0.103428
C 1.432104 -0.653213 0.429999
C 1.248411 -3.335824 -0.296358
C 2.628021 -1.374380 0.233110
C 2.515027 -2.739346 -0.129332
C 3.996309 -0.733131 0.441681
C 3.867784 1.150513 -1.140339
C 5.112148 1.408161 0.958392
C 3.677208 2.675457 -1.265192
C 4.962630 2.942496 0.903908
C 4.825640 3.430588 -0.557152
H -3.657830 -0.184432 1.329862
H -2.221184 -0.968626 -1.265195
H -1.339642 -0.483419 1.640527
H -2.472857 1.938458 1.617087
H -2.125286 2.989181 0.226607
H -5.414235 -1.487187 0.226338
H -5.024742 -0.792852 -1.365334
H -0.640614 1.259236 -0.795846
H -0.161970 1.539673 0.883532
H -3.423832 -2.946951 -0.169389
H -2.522663 -2.595634 1.327845
H -6.362877 0.592282 1.041077
H -6.669549 0.904307 -0.676025
H -2.393774 1.063418 -2.141891
H -4.166872 1.068575 -2.319451
H -3.303740 2.592796 -1.977258
H -1.422575 -3.444872 -1.423825
H -1.249162 -4.313151 0.110603
H 1.554691 0.397296 0.712240
H 1.178534 -4.396921 -0.578500
H 4.342476 -0.956604 1.471298
H 4.733884 -1.220295 -0.240037
H 3.013025 0.617557 -1.594428
H 4.788055 0.845133 -1.707010
H 6.089662 1.121021 0.485244
H 5.143418 1.066754 2.010475
H 2.709863 2.952682 -0.801987
H 3.628031 2.954529 -2.335567
H 5.835847 3.415452 1.393619
H 4.058915 3.230832 1.475331
H 3.524632 -4.391458 -0.581783
H 5.776412 3.241998 -1.098286
H 4.649676 4.522738 -0.585765


