%chk=000189492.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189492

0 1
O -4.319589 -1.469343 0.996591
O -6.759611 0.477059 -0.180620
O -5.288839 -2.110860 -2.475426
O 2.011457 0.465050 -0.611239
O 3.717541 -0.412737 -2.497347
N -2.328644 -0.266255 0.832918
N -0.353246 -1.254516 0.164694
N -1.644603 2.131612 0.619840
N 0.706372 2.363958 -0.154879
N -0.670175 4.246149 0.221940
C -3.735300 -0.200092 1.328653
C -5.385449 0.160940 -0.437785
C -4.576471 0.882387 0.649445
C -5.154658 -1.353718 -0.189438
C -4.419187 -2.054386 -1.340970
C -1.450968 0.777625 0.536122
C -1.594030 -1.486888 0.586381
C -0.218542 0.143223 0.118825
C 0.847341 1.014924 -0.224884
C -0.537652 2.870021 0.246092
C 3.123656 1.367557 -0.960853
C 4.224064 0.398735 -1.438714
C 4.797987 -0.449545 -0.323000
C 6.174877 -0.398673 -0.063476
C 3.978377 -1.297456 0.434602
C 6.725600 -1.187943 0.950384
C 4.533044 -2.087107 1.445229
C 5.906208 -2.033276 1.705177
H -3.725506 -0.175062 2.444470
H -5.120966 0.470932 -1.469457
H -3.978974 1.722858 0.241122
H -5.273037 1.356158 1.376435
H -6.096011 -1.871310 0.094461
H -4.079519 -3.063248 -1.049750
H -3.547761 -1.474542 -1.706091
H -7.296868 0.359204 -0.990804
H -2.061895 -2.449164 0.753139
H -5.937602 -2.837810 -2.375778
H 3.401594 1.943272 -0.063456
H 2.780265 2.040183 -1.766497
H 5.022544 0.988011 -1.959307
H -1.476544 4.671020 0.654655
H 0.153743 4.817206 0.105282
H 6.822259 0.248416 -0.652789
H 2.900680 -1.336695 0.242999
H 2.977272 -0.982178 -2.172708
H 7.794944 -1.146389 1.149152
H 3.891559 -2.744879 2.030122
H 6.336560 -2.649226 2.492539


%chk=000189492-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189492

0 1
O -4.430718 -1.460991 0.997990
O -6.347212 0.779574 -1.202557
O -6.289840 -2.125202 -2.208357
O 2.042605 0.437210 -0.605870
O 3.890413 -0.329397 -2.524242
N -2.365233 -0.288769 0.689062
N -0.409420 -1.296762 0.008716
N -1.616984 2.081272 0.702854
N 0.731536 2.306857 -0.002391
N -0.550178 4.170104 0.596832
C -3.749265 -0.177579 1.236176
C -5.147054 0.132484 -0.690184
C -4.584684 0.899219 0.518625
C -5.430788 -1.271386 -0.096171
C -5.311771 -2.398981 -1.127432
C -1.439375 0.744727 0.511055
C -1.682303 -1.489814 0.388541
C -0.238046 0.099280 0.079150
C 0.852547 0.972445 -0.177206
C -0.485366 2.805421 0.430134
C 3.170809 1.366172 -0.888573
C 4.331423 0.476602 -1.369908
C 4.992054 -0.368195 -0.279113
C 6.371665 -0.191916 -0.007921
C 4.270812 -1.351712 0.449874
C 7.024149 -0.970674 0.974792
C 4.922317 -2.131560 1.430169
C 6.299220 -1.944541 1.697921
H -3.683428 -0.035493 2.328396
H -4.377787 0.046552 -1.487096
H -3.988115 1.783894 0.254313
H -5.424134 1.207766 1.166899
H -6.441807 -1.266591 0.361162
H -5.477453 -3.394201 -0.672810
H -4.320627 -2.383872 -1.609862
H -6.660028 0.222690 -1.964465
H -2.178093 -2.451901 0.472233
H -7.163198 -2.524878 -1.969953
H 3.420843 1.933730 0.024728
H 2.854794 2.064154 -1.683542
H 5.094810 1.152229 -1.797396
H -1.418503 4.592148 0.912711
H 0.272693 4.731723 0.399704
H 6.942245 0.554098 -0.575870
H 3.202996 -1.500219 0.259133
H 3.072053 -0.820816 -2.249945
H 8.092105 -0.821920 1.170774
H 4.354700 -2.886363 1.986290
H 6.800917 -2.553417 2.458631


