%chk=000212710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212710

0 1
O 1.916685 -1.310375 -0.719029
O -1.927791 2.226795 0.598017
N -4.749747 -0.824520 0.170807
N -1.198429 0.275239 -0.349090
N 2.786287 1.125974 0.584315
N -0.232940 -0.608636 -0.665933
C -3.304140 -0.724626 0.543077
C -2.590272 -0.148927 -0.700503
C -5.595929 0.148061 0.939400
C -5.255568 -2.230957 0.304007
C 1.436508 0.938752 0.310751
C 1.016673 -0.302577 -0.354345
C 3.734379 0.173858 0.097673
C -0.961110 1.535017 0.338987
C 0.428973 1.814485 0.630101
C 3.264650 -1.005691 -0.534109
C -5.262328 1.584988 0.542117
C -6.535552 -2.405982 -0.515230
C 3.267328 2.370130 1.225038
C 5.121116 0.344607 0.228413
C 4.133462 -1.986699 -1.016530
C 5.995090 -0.637978 -0.250286
C 5.509765 -1.794183 -0.866389
H -2.859307 -1.704424 0.812455
H -3.135165 -0.058534 1.418543
H -3.131667 0.752492 -1.077519
H -2.570411 -0.895538 -1.524012
H -6.661018 -0.061932 0.690523
H -5.494227 0.023823 2.039634
H -4.475828 -2.918890 -0.094593
H -5.434617 -2.526356 1.360345
H 0.611308 2.769370 1.121580
H -4.221218 1.857579 0.782875
H -5.382963 1.736768 -0.537513
H -5.913602 2.296941 1.057611
H -7.377476 -1.850986 -0.086392
H -6.396760 -2.032958 -1.539619
H -6.821906 -3.460458 -0.576106
H 2.426745 2.945251 1.657694
H 3.782882 3.020408 0.495716
H 3.959587 2.130630 2.052528
H 5.531281 1.235442 0.700207
H 3.726809 -2.877387 -1.496427
H 7.069724 -0.493805 -0.139487
H 6.202018 -2.550992 -1.234804


%chk=000212710-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212710

0 1
O 1.909237 -1.394066 -0.549703
O -1.864697 2.440104 0.536954
N -4.777541 -0.782707 0.273109
N -1.193496 0.357847 -0.316833
N 2.833535 1.054715 0.608343
N -0.246598 -0.604237 -0.589985
C -3.356267 -0.538056 0.603541
C -2.591690 -0.003190 -0.637741
C -5.717104 0.156509 0.936681
C -5.191212 -2.207583 0.326072
C 1.469946 0.906199 0.315623
C 1.009898 -0.338106 -0.280888
C 3.772368 0.119113 0.083528
C -0.915959 1.624665 0.290908
C 0.491200 1.865021 0.569419
C 3.294284 -1.094039 -0.488200
C -5.540321 1.615929 0.471975
C -6.386728 -2.529368 -0.592806
C 3.294194 2.225869 1.366454
C 5.171868 0.335296 0.103521
C 4.167660 -2.067272 -0.994170
C 6.059093 -0.643649 -0.399666
C 5.563193 -1.848128 -0.943866
H -2.863438 -1.467437 0.954177
H -3.262610 0.208962 1.416794
H -3.102537 0.901226 -1.002195
H -2.565436 -0.764273 -1.432590
H -6.746408 -0.169858 0.700694
H -5.612828 0.108359 2.051789
H -4.327264 -2.814879 -0.002960
H -5.428787 -2.531476 1.372234
H 0.721463 2.847727 0.983219
H -4.524594 1.999001 0.678526
H -5.723649 1.695795 -0.614703
H -6.261114 2.270498 0.997121
H -7.303037 -1.994278 -0.285386
H -6.153734 -2.238638 -1.632114
H -6.609276 -3.612637 -0.566837
H 2.517808 2.522696 2.089746
H 3.518488 3.089284 0.709930
H 4.198352 1.964213 1.938223
H 5.579493 1.270997 0.495637
H 3.740175 -2.981368 -1.416017
H 7.136927 -0.454598 -0.369635
H 6.248444 -2.606981 -1.333425


