%chk=000200519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200519

0 1
O -1.153229 -0.493162 -0.740867
O -0.470703 -1.164110 1.330233
O -0.909046 2.267794 -0.393885
O -3.838463 -1.690182 0.032227
N 2.174840 -0.773739 -0.068014
N 4.542415 0.909636 -0.066672
C 3.473757 -1.259643 -0.641044
C 2.079675 0.715775 -0.249663
C 4.639795 -0.577624 0.104856
C 3.240749 1.389348 0.505715
C 0.987833 -1.457773 -0.683771
C 5.690155 1.587700 0.606375
C 1.082790 -2.982424 -0.603055
C -0.218581 -1.040401 0.169386
C -2.236539 0.215471 -0.214493
C -2.096510 1.618243 -0.082361
C -3.458648 -0.381815 0.145538
C -3.128497 2.405167 0.427937
C -4.506818 0.419413 0.661557
C -4.327444 1.787414 0.812908
C -0.548284 2.193068 -1.801029
C -2.854328 -2.678346 -0.361863
H 3.560604 -1.064216 -1.732135
H 3.548725 -2.356843 -0.486736
H 1.114029 1.077623 0.177833
H 2.105109 1.018230 -1.319121
H 5.601149 -0.916905 -0.335762
H 4.632657 -0.892260 1.171848
H 3.143059 1.189425 1.595770
H 3.179211 2.489370 0.364878
H 0.809979 -1.147437 -1.749666
H 6.629660 1.250159 0.140336
H 5.760446 1.418357 1.691027
H 5.616596 2.673075 0.429956
H 0.140155 -3.460228 -0.894217
H 1.863101 -3.376501 -1.265123
H 1.323304 -3.311110 0.421104
H -2.987734 3.478471 0.529291
H -5.440089 -0.067099 0.941313
H -5.133002 2.396032 1.227240
H -0.411500 1.148768 -2.103207
H 0.391145 2.756243 -1.828996
H -1.319306 2.683802 -2.401805
H -2.144957 -2.823548 0.460706
H -2.355462 -2.379427 -1.289224
H -3.480096 -3.567388 -0.508726


%chk=000200519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200519

0 1
O -1.280231 -0.553472 -0.787923
O -0.282593 -0.671734 1.334387
O -1.047768 2.164545 -0.382012
O -3.931254 -1.865074 -0.062023
N 2.275243 -0.692053 -0.107906
N 4.763514 0.806212 0.021587
C 3.527997 -1.224185 -0.702910
C 2.290408 0.796984 -0.133224
C 4.749962 -0.673739 0.052381
C 3.514509 1.335956 0.619404
C 1.038835 -1.242677 -0.711186
C 5.974036 1.371521 0.646448
C 1.020708 -2.793247 -0.733670
C -0.178561 -0.779335 0.105598
C -2.418639 0.141770 -0.263711
C -2.298569 1.552004 -0.123352
C -3.649259 -0.498586 0.035656
C -3.389905 2.333641 0.295675
C -4.751211 0.301270 0.440376
C -4.621864 1.695347 0.572434
C -0.787232 2.399484 -1.820384
C -2.848167 -2.857498 0.040873
H 3.619627 -0.948268 -1.784584
H 3.538606 -2.324245 -0.622567
H 1.372544 1.180179 0.345467
H 2.321340 1.176594 -1.187159
H 5.673017 -1.049277 -0.428773
H 4.722497 -1.063111 1.102780
H 3.423113 1.055412 1.699060
H 3.527412 2.439969 0.551932
H 0.881764 -0.874136 -1.756462
H 6.873014 0.991854 0.127767
H 6.070595 1.122292 1.733986
H 5.962584 2.472087 0.549015
H 0.025281 -3.159298 -1.038898
H 1.750482 -3.188214 -1.459311
H 1.256814 -3.187523 0.269772
H -3.258005 3.413704 0.406494
H -5.692078 -0.211517 0.660070
H -5.482074 2.287821 0.900747
H -0.802291 1.446930 -2.382221
H 0.213644 2.854470 -1.870171
H -1.540651 3.094257 -2.238294
H -2.188072 -2.635366 0.899011
H -2.261849 -2.900253 -0.892628
H -3.365570 -3.815090 0.205048


