%chk=000291608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291608

0 1
O -1.683665 1.323695 -0.720384
O 1.530168 1.029857 -1.174309
O 0.332750 0.822564 2.202495
O -0.422773 -2.653279 -1.343530
O -2.727110 -3.267954 0.556436
O 2.725145 -3.295518 0.485048
O -3.114286 2.573037 0.514485
O 3.530962 1.868013 -0.517468
O 0.627250 3.030807 2.598614
N -2.710839 -1.206936 -0.414966
N 2.220130 -1.655301 -1.015760
C -1.364597 -0.912997 0.111781
C 1.116818 -1.135629 -0.191175
C -0.254943 -1.318408 -0.899231
C -1.261130 0.582923 0.466107
C 1.353945 0.358742 0.111335
C 0.165036 1.074963 0.779285
C -3.283192 -2.469993 -0.180187
C 2.922806 -2.804443 -0.612209
C -2.620781 2.337776 -0.558434
C 2.683613 1.778265 -1.368595
C 0.571158 1.912380 3.040739
C -4.603537 -2.705490 -0.850120
C 3.930231 -3.308949 -1.603454
C -2.846394 2.978183 -1.880170
C 2.627832 2.374244 -2.729617
C 0.717229 1.404121 4.426302
H -1.226398 -1.509042 1.066241
H 1.115577 -1.696008 0.794534
H -0.312873 -0.726939 -1.842440
H -1.945204 0.833805 1.319364
H 2.279679 0.492408 0.730144
H 0.231252 2.176938 0.570342
H -3.041440 -0.596374 -1.156424
H 2.273283 -1.298296 -1.963754
H -0.559351 -3.276218 -0.583109
H -4.497197 -2.815336 -1.938185
H -5.050028 -3.643563 -0.477276
H -5.329930 -1.905275 -0.656606
H 4.671436 -2.546632 -1.876805
H 4.486263 -4.158048 -1.170662
H 3.457129 -3.673339 -2.525228
H -2.280761 2.491335 -2.690974
H -3.914788 2.962004 -2.148973
H -2.539930 4.038044 -1.852541
H 3.513656 2.089104 -3.319397
H 2.624320 3.475665 -2.669054
H 1.730427 2.068286 -3.290664
H 1.703840 1.673472 4.840092
H -0.044776 1.846839 5.089376
H 0.618988 0.306397 4.490082


%chk=000291608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291608

0 1
O -1.846968 1.304461 -0.845220
O 1.125368 1.131308 -1.251333
O 0.048550 0.457224 2.251612
O -0.425273 -2.788451 -1.254318
O -2.793038 -3.465966 -0.016459
O 3.463179 -1.397987 1.043088
O -2.399952 3.158381 0.462550
O 3.454235 1.391293 -1.172049
O 1.407164 2.268024 2.829028
N -2.861229 -1.216034 -0.560529
N 2.099302 -1.698257 -0.807278
C -1.535471 -0.936642 0.021695
C 0.959562 -1.084468 -0.124439
C -0.355639 -1.377821 -0.887340
C -1.455517 0.558773 0.394067
C 1.130672 0.439967 0.068963
C -0.056616 1.009785 0.870714
C -3.430413 -2.468915 -0.503566
C 3.302816 -1.851545 -0.133876
C -2.278841 2.636607 -0.664751
C 2.370238 1.549586 -1.766631
C 0.889016 1.178999 3.140406
C -4.848877 -2.603468 -1.029064
C 4.412986 -2.552366 -0.903673
C -2.526576 3.292393 -2.002131
C 2.180622 2.210323 -3.115896
C 1.054752 0.415884 4.429657
H -1.464258 -1.521518 0.960863
H 0.894514 -1.508660 0.900527
H -0.374104 -0.801333 -1.830843
H -2.184340 0.808224 1.186872
H 2.084812 0.653979 0.581664
H 0.004268 2.110888 0.915550
H -3.312404 -0.454672 -1.072183
H 1.885414 -2.282344 -1.619362
H -1.086029 -3.266295 -0.664403
H -4.878731 -3.395999 -1.795574
H -5.507599 -2.924125 -0.203250
H -5.247012 -1.668136 -1.457404
H 4.052439 -3.085224 -1.800781
H 5.155380 -1.797017 -1.218604
H 4.925525 -3.263956 -0.236046
H -2.965386 2.582809 -2.721519
H -3.180993 4.166919 -1.873056
H -1.560727 3.633602 -2.418393
H 2.743334 1.646150 -3.879953
H 2.604003 3.228963 -3.084914
H 1.118522 2.252220 -3.397373
H 1.833647 -0.355896 4.285652
H 1.379805 1.099054 5.227957
H 0.120870 -0.094822 4.712446


