%chk=000299219.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299219

0 1
O 4.421735 -2.371401 1.113398
O 2.236393 -3.105364 1.169352
O -1.049179 -2.142070 -1.470915
O -2.963721 -3.117464 -1.277142
O -6.593772 1.038753 1.451875
O -6.747464 -0.983592 0.697263
N 0.044712 1.418625 -0.335818
N -0.659977 0.250790 -0.571397
N -2.231887 -2.159920 -1.112164
N -6.126929 0.043221 0.921344
C 3.018620 -1.978446 -0.856397
C 3.379659 -2.956303 0.301573
C 2.547953 -0.646822 -0.225361
C 4.282788 -1.783463 -1.702947
C 1.904925 -2.635181 -1.678228
C 2.178415 0.427155 -1.254226
C 4.133774 -2.621553 2.508810
C 2.683940 -3.123851 2.544600
C 1.313160 1.499749 -0.642961
C 1.955714 2.811135 -0.355871
C 3.140844 2.850511 0.396194
C 1.387530 3.999669 -0.838121
C 3.754324 4.077327 0.657717
C 2.011180 5.222964 -0.575173
C -1.989437 0.208278 -0.215197
C 3.192701 5.263325 0.170951
C -2.766886 -0.974195 -0.466860
C -2.640033 1.326035 0.412571
C -4.126921 -1.012429 -0.084303
C -3.958041 1.269983 0.772385
C -4.715484 0.085031 0.524341
H 3.710157 -3.958863 -0.024671
H 1.694999 -0.869150 0.449972
H 3.352290 -0.270294 0.441906
H 4.640913 -2.729019 -2.125551
H 5.100842 -1.367135 -1.099069
H 4.106453 -1.104990 -2.542969
H 1.548747 -1.983807 -2.483595
H 2.231624 -3.569991 -2.146550
H 1.030812 -2.883736 -1.053165
H 1.664456 -0.030156 -2.129218
H 3.103924 0.871491 -1.680166
H 4.869206 -3.363114 2.861134
H 4.292744 -1.653852 3.010956
H 1.984099 -2.461635 3.079367
H 2.582314 -4.160940 2.904313
H 3.578076 1.928260 0.778761
H 0.460434 3.968958 -1.410928
H -0.199082 -0.596233 -0.994093
H 4.672439 4.110558 1.243159
H 1.571740 6.146329 -0.951076
H 3.675862 6.217980 0.375492
H -2.048401 2.230319 0.601068
H -4.716574 -1.927844 -0.277434
H -4.459211 2.120369 1.254366


%chk=000299219-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299219

0 1
O 4.646389 -2.038542 1.226867
O 2.597258 -3.212779 1.332094
O -1.205378 -2.090425 -1.478431
O -3.271796 -3.048951 -1.425512
O -6.921226 1.356578 1.154842
O -7.105402 -0.776652 0.353516
N -0.111863 1.469031 -0.336526
N -0.867782 0.339071 -0.606470
N -2.491504 -2.052721 -1.190181
N -6.421741 0.287775 0.620550
C 3.117143 -2.015204 -0.777739
C 3.673681 -2.828891 0.417761
C 2.404401 -0.749968 -0.212570
C 4.326237 -1.639361 -1.674296
C 2.136581 -2.931162 -1.556579
C 1.869673 0.235286 -1.294347
C 4.234500 -2.141489 2.649345
C 3.242559 -3.323018 2.657786
C 1.179315 1.437147 -0.663532
C 1.959373 2.660072 -0.335540
C 3.380509 2.673070 -0.426116
C 1.298759 3.851269 0.088071
C 4.113889 3.835108 -0.104480
C 2.031817 5.009477 0.404301
C -2.211620 0.321002 -0.312253
C 3.445608 5.008881 0.310076
C -3.032843 -0.838904 -0.585902
C -2.849643 1.460285 0.282683
C -4.411277 -0.844138 -0.279133
C -4.207149 1.452633 0.585329
C -4.984498 0.292878 0.299942
H 4.212888 -3.734117 0.058295
H 1.572481 -1.083951 0.435413
H 3.122186 -0.213700 0.437056
H 4.881449 -2.545885 -1.980322
H 5.029351 -0.978515 -1.136935
H 3.992796 -1.136062 -2.599497
H 1.780378 -2.439372 -2.479528
H 2.638265 -3.869445 -1.860342
H 1.257846 -3.196744 -0.945324
H 1.181284 -0.295693 -1.979838
H 2.702090 0.586200 -1.925586
H 5.137109 -2.320181 3.257138
H 3.749045 -1.196839 2.959936
H 2.447700 -3.246986 3.414692
H 3.768267 -4.294944 2.747747
H 3.925205 1.775047 -0.734413
H 0.207483 3.846620 0.156040
H -0.494519 -0.538731 -1.021138
H 5.206824 3.822665 -0.176167
H 1.505309 5.916633 0.720706
H 4.015855 5.911640 0.554927
H -2.224907 2.330380 0.490019
H -5.014634 -1.729457 -0.494997
H -4.696222 2.318082 1.039864


