%chk=000287195.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287195

0 1
O -3.153299 0.779097 0.260925
O -1.924752 2.247337 -0.997153
O -1.244866 -1.591633 -0.528198
O -1.126309 -2.574769 1.531115
N -0.851284 0.843725 0.499488
N -1.014219 -0.244987 1.363305
C 2.974027 0.738301 0.343534
C 2.967633 -0.483831 -0.659388
C 2.310309 0.530456 -1.670947
C 1.630239 1.000303 1.058728
C 3.034178 1.676649 -0.903639
C 0.509875 1.223577 -0.015269
C 0.800278 0.618297 -1.412161
C 1.352967 -0.041626 2.152935
C 2.197758 -1.751595 -0.334601
C 4.396683 -0.871795 -1.058058
C -0.120306 -0.094016 2.559468
C -1.984888 1.352161 -0.175319
C -1.088429 -1.580663 0.839447
C -4.392178 1.369642 -0.259935
C -1.746991 -2.829743 -1.134189
C -4.667005 2.690835 0.424779
C -0.648344 -3.866499 -1.213687
H 3.820690 0.774323 1.035966
H 2.555430 0.403050 -2.728577
H 1.728654 1.988171 1.584332
H 4.048023 1.885974 -1.260243
H 2.515776 2.634455 -0.838621
H 0.431197 2.343511 -0.159835
H 0.306598 1.241557 -2.182303
H 0.339103 -0.390779 -1.504221
H 1.975957 0.188842 3.039643
H 1.686894 -1.054080 1.830234
H 2.526884 -2.597383 -0.948331
H 2.326700 -2.040723 0.718848
H 1.116670 -1.639297 -0.516533
H 4.884321 -1.441907 -0.259764
H 4.397668 -1.494669 -1.959390
H 5.030505 -0.004184 -1.269546
H -0.325272 -0.949610 3.244909
H -0.432492 0.835913 3.087369
H -4.303867 1.465565 -1.356509
H -5.110361 0.574601 0.015081
H -2.616594 -3.174507 -0.547199
H -2.063642 -2.447322 -2.122662
H -5.666713 3.069648 0.183942
H -4.594771 2.600318 1.516774
H -3.938548 3.456714 0.115159
H -0.993595 -4.776798 -1.718363
H 0.228780 -3.494691 -1.757464
H -0.309769 -4.158916 -0.205980


%chk=000287195-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287195

0 1
O -3.105538 0.849039 0.349954
O -1.933816 2.298924 -1.090291
O -1.740413 -1.777397 -0.620050
O -1.403603 -2.638858 1.547424
N -0.822224 0.629655 0.107788
N -0.895122 -0.418400 1.037744
C 2.989173 0.937224 0.351458
C 3.251632 -0.375366 -0.523958
C 2.586151 0.444354 -1.703216
C 1.544546 1.086251 0.903754
C 3.091120 1.754542 -0.992919
C 0.529296 1.078431 -0.315122
C 1.042229 0.359422 -1.605697
C 1.250914 0.115484 2.089989
C 2.653047 -1.755620 -0.185327
C 4.773041 -0.580001 -0.737205
C -0.259675 -0.108150 2.332373
C -1.956976 1.339414 -0.272463
C -1.347601 -1.691747 0.717764
C -4.373857 1.533854 -0.034704
C -2.262250 -3.110391 -1.039568
C -4.611695 2.775302 0.829442
C -1.119470 -4.037113 -1.464029
H 3.731703 1.146303 1.143803
H 2.944636 0.232611 -2.726425
H 1.471742 2.112428 1.323318
H 4.125449 2.016074 -1.263554
H 2.470083 2.661624 -1.085141
H 0.375706 2.133259 -0.597742
H 0.573853 0.858274 -2.474769
H 0.706093 -0.691906 -1.627669
H 1.711189 0.533699 3.006095
H 1.718880 -0.865606 1.919209
H 2.850236 -2.449351 -1.026820
H 3.130551 -2.191351 0.713097
H 1.564464 -1.749723 -0.020058
H 5.243518 -0.962495 0.189075
H 4.951856 -1.325353 -1.535926
H 5.301149 0.346120 -1.021076
H -0.440282 -0.954526 3.013519
H -0.747170 0.795278 2.745397
H -4.321627 1.796508 -1.105937
H -5.141508 0.760862 0.131441
H -2.838513 -3.542965 -0.203003
H -2.933176 -2.868856 -1.879713
H -5.598708 3.213961 0.590500
H -4.600638 2.515452 1.902285
H -3.839073 3.537885 0.634534
H -1.532679 -4.982493 -1.862875
H -0.507011 -3.568330 -2.254202
H -0.474329 -4.279238 -0.602610


