%chk=000201888.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201888

0 1
O -4.694521 -0.099464 0.258258
O -3.761067 -0.946989 -2.171422
O -2.742148 0.585456 2.297877
O 3.380301 -1.921156 -1.274380
O 1.460949 0.511838 -1.539211
N 3.819370 -1.446497 0.951510
N 1.630579 -1.124955 0.066825
C 6.015446 -0.297658 0.487987
C 5.289097 -1.615371 0.788921
C 6.105546 0.627475 1.707815
C 6.868246 1.909414 1.382242
C -0.568040 -0.208963 -0.450398
C -3.335621 -0.212808 0.015728
C -2.808623 -0.588125 -1.250664
C -2.437278 0.174721 1.030277
C -1.428921 -0.598296 -1.483511
C -1.041970 0.178145 0.795303
C 3.016804 -1.498758 -0.201806
C 0.910828 -0.205630 -0.737416
C -5.460093 -1.312555 0.017940
C -3.309775 -1.310867 -3.502770
C -4.139654 0.682850 2.683363
H 7.034462 -0.526528 0.115867
H 5.515181 0.227168 -0.352480
H 5.672920 -2.080578 1.724228
H 5.473999 -2.344327 -0.037552
H 6.602201 0.100574 2.546232
H 5.090013 0.884490 2.066465
H 3.539552 -0.837314 1.720067
H 7.896027 1.700937 1.063684
H 6.923094 2.571272 2.253974
H 6.385023 2.472801 0.574520
H -1.018105 -0.876313 -2.451412
H -0.379449 0.504586 1.594564
H 1.139178 -1.642790 0.800690
H -5.446537 -1.554793 -1.052407
H -5.069027 -2.135955 0.617948
H -6.462389 -1.011767 0.340739
H -2.785939 -0.470224 -3.969005
H -2.687766 -2.209308 -3.461302
H -4.262812 -1.508554 -4.010422
H -4.679393 1.340782 1.991281
H -4.587996 -0.313981 2.702478
H -4.061493 1.119713 3.685374


%chk=000201888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201888

0 1
O -4.835344 -0.388132 0.252076
O -3.723229 -0.117331 -2.310928
O -3.140994 -1.068807 2.446133
O 3.502169 -2.449153 -0.065092
O 1.247233 -1.378572 -1.739978
N 3.746402 -0.764243 1.538034
N 1.644659 -1.087528 0.554520
C 6.153224 -0.372401 0.859612
C 5.161018 -1.081289 1.811894
C 6.142331 1.168671 0.973782
C 7.176983 1.837273 0.042592
C -0.660747 -0.967192 -0.301335
C -3.464187 -0.579557 0.029606
C -2.855820 -0.453416 -1.260640
C -2.634318 -0.863766 1.151649
C -1.472441 -0.659758 -1.420283
C -1.244511 -1.060377 0.982658
C 3.022988 -1.501422 0.604920
C 0.805500 -1.180734 -0.575550
C -5.773322 -1.224753 -0.534021
C -3.132288 0.047217 -3.645422
C -3.981703 0.000411 3.030696
H 7.172019 -0.747968 1.086593
H 5.924989 -0.678260 -0.179180
H 5.377076 -0.808534 2.863027
H 5.269923 -2.174720 1.708609
H 6.345435 1.462451 2.025153
H 5.131496 1.551965 0.724749
H 3.374378 0.128372 1.866072
H 8.202712 1.500509 0.284365
H 7.152021 2.938776 0.132253
H 6.979834 1.577973 -1.014215
H -0.981183 -0.599326 -2.395210
H -0.679654 -1.352428 1.874425
H 1.232055 -0.733489 1.420116
H -5.687004 -0.997552 -1.608303
H -5.572303 -2.296013 -0.346920
H -6.771989 -0.956799 -0.157370
H -2.375567 0.854086 -3.646294
H -2.672478 -0.894419 -4.000010
H -3.974044 0.322857 -4.297182
H -3.394106 0.933724 3.131004
H -4.875479 0.179625 2.412454
H -4.261533 -0.374274 4.026938


