%chk=000186783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186783

0 1
O -2.683280 -2.143063 -0.587813
O -3.100645 0.784782 1.902913
O -1.417640 0.642085 -2.401693
O 4.857946 1.696966 -1.408558
N -2.186162 0.689428 -0.231243
N -4.005176 2.195721 0.325873
N 4.088341 1.736812 0.767949
C -1.230600 -0.374286 0.247712
C -1.342259 -1.649577 -0.642839
C 0.168755 0.189757 0.329480
C -0.353687 -2.706326 -0.197990
C -3.085136 1.177958 0.747878
C -2.192442 1.137741 -1.609829
C 0.669606 0.558881 1.588698
C 0.978354 0.355190 -0.803431
C 0.665464 -3.104665 -1.073927
C -0.451438 -3.298186 1.069616
C 1.959289 1.067634 1.721701
C 2.272257 0.861320 -0.690525
C -3.167375 2.178934 -1.908952
C 2.769525 1.215709 0.574709
C -4.027078 2.671305 -0.986596
C -4.963602 2.730883 1.323044
C 1.579320 -4.088048 -0.683773
C 0.461885 -4.283408 1.454486
C 1.478324 -4.679583 0.579170
C 5.060397 1.946226 -0.238868
C 6.355929 2.504298 0.284735
H -1.566705 -0.669214 1.288497
H -1.238098 -1.400140 -1.732329
H 0.044764 0.449964 2.477224
H 0.588528 0.097392 -1.795409
H -2.890621 -2.535486 0.284580
H 0.749999 -2.648138 -2.060312
H -1.234304 -2.993034 1.761058
H 2.328329 1.343727 2.705378
H 2.892430 0.981881 -1.585981
H -3.160308 2.531310 -2.941884
H -4.764573 3.449928 -1.219587
H -4.800493 2.241853 2.308033
H -6.003483 2.527937 1.017484
H -4.822343 3.815637 1.460005
H 2.371345 -4.392254 -1.366632
H 0.382352 -4.741651 2.438704
H 2.189585 -5.446012 0.880746
H 4.332259 1.966539 1.733108
H 6.231554 3.487526 0.756693
H 7.064608 2.639814 -0.550698
H 6.842403 1.836033 1.006994


%chk=000186783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186783

0 1
O -2.728547 -1.947596 -0.698774
O -3.109974 0.523437 1.916022
O -1.295176 0.911603 -2.413815
O 5.249387 1.629754 -1.388369
N -2.148514 0.755477 -0.224543
N -4.096926 2.006170 0.398221
N 4.227485 1.922976 0.708084
C -1.116281 -0.276186 0.159204
C -1.295468 -1.561153 -0.705578
C 0.296319 0.304515 0.225952
C -0.411305 -2.709948 -0.234625
C -3.112815 1.052343 0.763592
C -2.149373 1.289558 -1.558666
C 0.735883 0.850784 1.459317
C 1.201849 0.304292 -0.863503
C 0.363782 -3.435509 -1.171690
C -0.397015 -3.118100 1.125583
C 2.029114 1.385834 1.597698
C 2.504849 0.826787 -0.741172
C -3.189169 2.278176 -1.822597
C 2.929217 1.375087 0.498153
C -4.111890 2.593922 -0.861050
C -5.131676 2.360087 1.393713
C 1.140867 -4.541951 -0.764278
C 0.373975 -4.227227 1.535611
C 1.147281 -4.942476 0.591645
C 5.295249 2.029073 -0.189061
C 6.540388 2.680485 0.418235
H -1.408694 -0.536477 1.191719
H -1.101705 -1.335506 -1.763606
H 0.055177 0.856097 2.319682
H 0.880213 -0.085025 -1.832416
H -2.940052 -2.353230 0.182215
H 0.354091 -3.131107 -2.225223
H -0.980882 -2.570322 1.877031
H 2.346214 1.803200 2.562753
H 3.194241 0.821384 -1.586693
H -3.211762 2.733819 -2.812521
H -4.911741 3.319636 -1.033460
H -4.927856 1.786640 2.309356
H -6.134630 2.097449 1.014631
H -5.091973 3.439520 1.621684
H 1.738871 -5.090326 -1.500591
H 0.376943 -4.530727 2.588664
H 1.748960 -5.801212 0.909923
H 4.398378 2.283576 1.650244
H 6.330005 3.712699 0.755184
H 7.326511 2.713405 -0.349419
H 6.914274 2.104393 1.285133


