%chk=000118278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118278

0 1
O -0.962048 4.227378 0.743717
O -2.239547 1.611220 0.767229
O -6.733408 -1.905310 -1.994430
N 1.829278 1.986109 -0.060850
N 4.241458 0.381338 0.001557
C 2.485600 1.618614 1.237522
C 2.873197 2.110649 -1.131522
C 3.209979 0.267060 1.079351
C 3.598636 0.759762 -1.295233
C 1.047751 3.254323 0.068016
C -0.318890 2.939055 0.709357
C 5.264687 -0.610191 -0.037117
C -1.144784 1.957800 -0.135079
C 5.630049 -1.311229 1.136140
C 6.016283 -0.821060 -1.216975
C 6.715834 -2.184433 1.120963
C 7.098594 -1.698769 -1.210630
C -3.182597 0.709333 0.329516
C 7.455432 -2.388566 -0.047979
C -6.338209 -2.044121 -0.608249
C -5.231852 -1.068542 -0.279211
C -4.184531 0.459754 1.290656
C -3.187805 0.085263 -0.923894
C -5.899510 -3.514171 -0.510296
C -5.203505 -0.431017 0.973367
C -4.221895 -0.809424 -1.213361
C -5.798700 -3.976876 0.936851
H 3.204601 2.390497 1.591276
H 1.697589 1.519600 2.014915
H 3.615854 2.911328 -0.919360
H 2.368313 2.369034 -2.087136
H 2.473031 -0.536918 0.856362
H 3.706604 0.006017 2.041932
H 4.381329 0.861150 -2.081712
H 2.880986 -0.019097 -1.637917
H 1.550225 4.045466 0.667886
H 0.877188 3.705313 -0.935223
H -0.227537 2.569682 1.756227
H -0.571716 1.045545 -0.384640
H -1.561064 2.426069 -1.041380
H 5.076452 -1.161979 2.060823
H 5.764861 -0.288518 -2.131749
H -1.888760 4.127734 1.054903
H 6.988971 -2.715002 2.033098
H 7.671692 -1.848679 -2.125588
H 8.297842 -3.073118 -0.052264
H -7.246554 -1.850791 0.007662
H -4.141936 0.961684 2.253672
H -2.414502 0.275076 -1.660145
H -4.932632 -3.652950 -1.032776
H -6.628439 -4.134564 -1.073309
H -5.984829 -0.635857 1.706190
H -4.249261 -1.313933 -2.182879
H -6.763944 -3.922485 1.452807
H -5.458330 -5.017965 0.992580
H -5.081870 -3.369312 1.503949
H -6.920364 -0.971074 -2.204721


%chk=000118278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118278

0 1
O -1.012021 4.045037 0.788717
O -2.352584 1.566824 0.852212
O -6.944305 -1.869224 -2.149064
N 1.913542 1.876081 -0.074739
N 4.375542 0.340347 -0.050740
C 2.666565 1.646746 1.184048
C 2.864902 1.942196 -1.212271
C 3.478271 0.340030 1.119323
C 3.659752 0.630862 -1.314434
C 1.022180 3.059940 -0.006554
C -0.289284 2.766492 0.742989
C 5.518653 -0.501490 -0.060671
C -1.127442 1.698845 0.035670
C 5.781963 -1.423481 0.998012
C 6.474999 -0.421508 -1.119949
C 6.952994 -2.211692 0.998861
C 7.633855 -1.221230 -1.112972
C -3.352022 0.681804 0.410913
C 7.890607 -2.123887 -0.053370
C -6.626029 -1.985239 -0.705537
C -5.490259 -1.045820 -0.314639
C -4.511769 0.613250 1.219663
C -3.254076 -0.108511 -0.762029
C -6.303380 -3.479218 -0.492720
C -5.568273 -0.242503 0.851921
C -4.322073 -0.962370 -1.112055
C -6.127469 -3.856507 0.992048
H 3.366443 2.496061 1.389209
H 1.958226 1.580586 2.029218
H 3.581463 2.794851 -1.101694
H 2.292385 2.091149 -2.146366
H 2.776772 -0.526966 1.095768
H 4.082571 0.269428 2.039933
H 4.376510 0.708268 -2.145812
H 2.951526 -0.196576 -1.551788
H 1.506632 3.937123 0.484408
H 0.763935 3.370987 -1.036284
H -0.083676 2.416010 1.777114
H -0.578960 0.739582 -0.010832
H -1.396334 2.035186 -0.986465
H 5.066124 -1.550324 1.815356
H 6.332810 0.290939 -1.938938
H -1.919745 3.855622 1.142579
H 7.122637 -2.910470 1.826622
H 8.350103 -1.127587 -1.937808
H 8.795321 -2.740480 -0.050811
H -7.526037 -1.726736 -0.102931
H -4.566428 1.233484 2.119683
H -2.364671 -0.066281 -1.397379
H -5.386954 -3.722978 -1.063171
H -7.128734 -4.063316 -0.941602
H -6.466397 -0.286271 1.480479
H -4.255810 -1.569836 -2.021704
H -7.052337 -3.663551 1.568590
H -5.888239 -4.930102 1.095148
H -5.309703 -3.279170 1.460234
H -7.048973 -0.908508 -2.370492


