%chk=000185372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185372

0 1
O 0.153239 3.709320 -0.803076
O 3.465746 -0.095626 -2.305144
O -4.565691 0.148101 1.424573
N 0.302696 -1.547286 -0.848016
C -0.073604 -0.226653 -0.478675
C -1.170474 -0.292201 0.372793
C -0.543186 -2.456234 -0.182439
C -1.494869 -1.685331 0.567765
C 0.620056 0.979503 -1.008566
C 1.474945 -1.918758 -1.657195
C -1.895384 0.849006 0.993163
C -0.578216 -3.864669 -0.194283
C -2.501524 -2.348428 1.290158
C 1.249827 1.805506 0.076664
C 2.755137 -1.827460 -0.866434
C -3.002333 1.344521 0.104675
C -1.575688 -4.481895 0.542739
C -2.531141 -3.733772 1.275879
C 1.003120 3.194969 0.156775
C 3.751450 -0.892063 -1.216895
C -4.344923 0.965548 0.333463
C 2.102678 1.245597 1.031886
C 2.994473 -2.650357 0.238734
C -2.745679 2.185089 -0.980977
C 1.581068 4.005749 1.139464
C 2.691672 2.040446 2.024342
C 4.954962 -0.777729 -0.509427
C -5.396696 1.401206 -0.480590
C 4.189658 -2.550209 0.960373
C -3.784515 2.632905 -1.808640
C 2.432291 3.411072 2.077222
C 5.163878 -1.620390 0.585786
C -5.100722 2.241074 -1.560073
H -0.126968 1.595957 -1.574285
H 1.405574 0.712810 -1.756884
H 1.523087 -1.252507 -2.556680
H 1.338795 -2.956039 -2.046570
H -1.188321 1.677780 1.220001
H -2.311242 0.536054 1.979382
H 0.143554 -4.438135 -0.763584
H -3.243585 -1.761204 1.833544
H -1.638298 -5.568607 0.563116
H -3.298359 -4.268368 1.829876
H 2.303117 0.171033 1.004958
H 2.231361 -3.370347 0.545573
H -1.712168 2.492045 -1.185879
H 1.373645 5.069587 1.179406
H 3.349483 1.580999 2.758817
H 5.706481 -0.050572 -0.798998
H -6.417898 1.093729 -0.285785
H 4.357103 -3.198839 1.817975
H -3.559195 3.284048 -2.649175
H 2.890178 4.024878 2.851806
H 6.093533 -1.547650 1.150557
H -5.905703 2.587220 -2.206337
H -0.015098 4.672636 -0.664893
H 4.180824 0.565792 -2.477592
H -5.519854 -0.088251 1.513224


%chk=000185372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185372

0 1
O 0.291471 3.814490 -0.920078
O 3.840656 -0.413441 -2.512375
O -4.587155 0.211605 1.691884
N 0.380364 -1.519099 -0.878719
C -0.002964 -0.204161 -0.507138
C -1.158586 -0.269437 0.283924
C -0.522889 -2.430793 -0.310870
C -1.503708 -1.671683 0.419751
C 0.762045 1.010956 -0.987084
C 1.572559 -1.893376 -1.656233
C -1.910361 0.901560 0.894987
C -0.561213 -3.842425 -0.376142
C -2.548361 -2.358981 1.093149
C 1.320720 1.895865 0.128728
C 2.867794 -1.857925 -0.844633
C -3.146596 1.342979 0.107204
C -1.608095 -4.500423 0.302484
C -2.590656 -3.765558 1.029979
C 1.087395 3.296207 0.129699
C 3.988493 -1.113811 -1.294604
C -4.459345 0.979886 0.509598
C 2.108208 1.361693 1.176723
C 2.984754 -2.558478 0.380065
C -3.023770 2.145174 -1.054336
C 1.618298 4.135277 1.137538
C 2.648116 2.183984 2.190549
C 5.191287 -1.072420 -0.550564
C -5.599380 1.376569 -0.229860
C 4.178451 -2.528720 1.135062
C -4.149701 2.552126 -1.805216
C 2.401850 3.575920 2.170158
C 5.284658 -1.783355 0.664931
C -5.443685 2.160992 -1.392837
H 0.110618 1.628118 -1.629331
H 1.603835 0.695766 -1.631576
H 1.669655 -1.238328 -2.536456
H 1.401466 -2.914244 -2.042344
H -1.224669 1.763677 0.979863
H -2.218642 0.631847 1.920521
H 0.187505 -4.420313 -0.930095
H -3.307996 -1.790705 1.639764
H -1.666330 -5.594536 0.269937
H -3.390312 -4.309927 1.545644
H 2.287128 0.280640 1.198015
H 2.118223 -3.119852 0.748367
H -2.021428 2.464040 -1.363228
H 1.419185 5.215259 1.118560
H 3.251865 1.742369 2.990210
H 6.045762 -0.486301 -0.913841
H -6.602834 1.075498 0.101187
H 4.244685 -3.079217 2.079000
H -4.019303 3.169561 -2.700516
H 2.811332 4.224431 2.952404
H 6.216073 -1.751093 1.240471
H -6.326794 2.465669 -1.965223
H 0.134593 4.782423 -0.792496
H 4.649708 0.117933 -2.713773
H -5.541682 0.040687 1.886804


