%chk=000192978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192978

0 1
O 0.436899 -1.239170 -2.218147
O 3.116193 -3.364545 0.736129
N -4.092431 0.066929 0.368957
N 1.753537 -2.263383 -0.703761
C -1.224446 0.002221 -0.277296
C 0.269419 -0.339115 0.052678
C -1.820045 0.997364 0.733594
C -2.109136 -1.257594 -0.334501
C 0.382912 -1.057189 1.414540
C -3.279222 1.327855 0.379363
C -3.566056 -0.890706 -0.659387
C 1.086725 0.948577 -0.018533
C 0.787390 -1.282769 -1.055685
C 1.789790 -1.581380 1.689094
C 2.293061 -2.486687 0.596628
C -5.527762 0.379469 0.096637
C 1.440918 1.483225 -1.269080
C 1.455974 1.642533 1.143462
C 2.173775 2.668919 -1.351305
C 2.189080 2.830024 1.058364
C 2.554891 3.344807 -0.187840
H -1.229700 0.476541 -1.293992
H -1.228295 1.931889 0.756811
H -1.784237 0.573394 1.756417
H -2.075869 -1.795420 0.634527
H -1.735316 -1.960090 -1.104677
H -0.347316 -1.895874 1.450432
H 0.069889 -0.370796 2.229047
H -3.703724 1.999517 1.156947
H -3.322130 1.880937 -0.583529
H -3.635162 -0.496181 -1.696319
H -4.192950 -1.808314 -0.620594
H 1.822609 -2.127183 2.657562
H 2.513368 -0.741198 1.806195
H 2.095652 -2.871743 -1.464577
H -6.112984 -0.552893 0.148670
H -5.725229 0.858093 -0.873574
H -5.908219 1.038994 0.893112
H 1.141234 0.978013 -2.192307
H 1.166171 1.270291 2.125721
H 2.447332 3.067845 -2.327843
H 2.473324 3.355560 1.969061
H 3.129185 4.266932 -0.253400


%chk=000192978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192978

0 1
O 0.398729 -1.278502 -2.221208
O 3.264180 -3.397323 0.705435
N -4.140359 0.124562 0.287145
N 1.776580 -2.278904 -0.674326
C -1.237716 -0.054626 -0.210054
C 0.278246 -0.391399 0.098163
C -1.845572 0.977888 0.770512
C -2.167459 -1.294380 -0.265978
C 0.445661 -1.114871 1.464339
C -3.286066 1.333447 0.349140
C -3.595456 -0.870074 -0.666891
C 1.104952 0.927500 0.006776
C 0.793535 -1.328797 -1.023448
C 1.882199 -1.621543 1.709244
C 2.378987 -2.511463 0.583610
C -5.551093 0.453329 0.005698
C 1.358453 1.517332 -1.261115
C 1.553339 1.616727 1.163728
C 2.046467 2.745294 -1.366800
C 2.241629 2.846510 1.059781
C 2.495156 3.417165 -0.206868
H -1.239265 0.395574 -1.224284
H -1.237335 1.900640 0.796231
H -1.878594 0.560999 1.796053
H -2.226156 -1.784768 0.724482
H -1.793609 -2.030664 -1.001036
H -0.243893 -1.977744 1.496168
H 0.139250 -0.448912 2.288852
H -3.728765 2.036131 1.080337
H -3.255404 1.861440 -0.642505
H -3.576641 -0.464661 -1.714119
H -4.262776 -1.752526 -0.669082
H 1.957613 -2.199790 2.645639
H 2.590083 -0.774713 1.795465
H 2.111343 -2.868323 -1.447703
H -6.161112 -0.467484 0.033966
H -5.703097 0.937543 -0.993001
H -5.934991 1.142046 0.779843
H 1.017806 1.011233 -2.171197
H 1.359357 1.212112 2.162542
H 2.232526 3.176131 -2.356978
H 2.576658 3.356799 1.969904
H 3.031711 4.368762 -0.288864


