%chk=000207176.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207176

0 1
O 0.155949 0.878291 1.657752
O 3.074522 -1.089339 -0.724773
O 2.734094 0.297696 1.056904
O 4.914793 -0.071638 0.091812
O 5.074076 -1.827483 -1.408341
N -3.273867 -1.128474 -1.059404
C -1.529574 -0.082645 0.345344
C -2.476098 0.760546 1.154978
C -1.915127 -0.937633 -0.717540
C -3.004999 1.945308 0.330765
C -0.150318 0.074323 0.609068
C -4.240967 -1.515316 0.009018
C -3.615810 -1.658560 -2.412061
C -3.963274 2.817049 1.152646
C -0.894176 -1.546481 -1.519051
C 0.858878 -0.556915 -0.165193
C 0.441263 -1.361338 -1.251822
C -3.815543 -2.742191 0.813113
C -3.584602 -3.179412 -2.554185
C -4.496538 3.991811 0.335264
C 2.251471 -0.361017 0.161212
C 4.460839 -1.054062 -0.724210
C 6.373066 0.117720 0.164739
C 6.898578 0.688611 -1.131910
H -1.965499 1.140286 2.068285
H -3.324177 0.149411 1.536988
H -3.511790 1.574271 -0.581181
H -2.153058 2.554401 -0.029008
H -4.362322 -0.637639 0.698783
H -5.235604 -1.683477 -0.458856
H -4.637350 -1.278635 -2.651137
H -2.935484 -1.186292 -3.158112
H -4.808796 2.206137 1.523229
H -3.444926 3.196552 2.055559
H -1.175021 -2.193025 -2.348963
H 1.209150 -1.844547 -1.867037
H -3.679274 -3.626466 0.180016
H -2.863773 -2.573584 1.335530
H -4.563522 -2.992946 1.573879
H -2.607426 -3.596870 -2.277272
H -4.334384 -3.666370 -1.919521
H -3.787974 -3.480268 -3.588707
H -3.684212 4.640561 -0.012790
H -5.178742 4.610532 0.928430
H -5.044660 3.651910 -0.550512
H 1.160750 0.972365 1.819620
H 6.832824 -0.849048 0.432291
H 6.421167 0.828245 1.013286
H 7.952989 0.978760 -1.044443
H 6.334626 1.579434 -1.440995
H 6.826947 -0.041052 -1.954086


%chk=000207176-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207176

0 1
O 0.205636 0.607959 1.966948
O 3.226945 -1.376202 -0.283574
O 2.690047 -0.016851 1.559080
O 4.865799 0.215107 -0.323990
O 5.448498 -2.051307 -0.148450
N -3.157319 -1.183080 -1.122388
C -1.486444 -0.203189 0.465986
C -2.456843 0.672361 1.250384
C -1.831818 -0.980677 -0.697307
C -3.036912 1.844408 0.410259
C -0.116107 -0.132071 0.839496
C -4.300794 -1.353238 -0.188006
C -3.450332 -1.536444 -2.533966
C -4.047369 2.694334 1.213219
C -0.772661 -1.573385 -1.481047
C 0.930757 -0.759200 0.069172
C 0.561195 -1.466455 -1.109430
C -4.073945 -2.445994 0.878527
C -3.627727 -3.049200 -2.810986
C -4.617496 3.877038 0.400848
C 2.298802 -0.640872 0.521996
C 4.618996 -1.132387 -0.212363
C 6.308663 0.624226 -0.244817
C 6.979422 0.514575 -1.614762
H -1.908109 1.096892 2.107199
H -3.289055 0.086995 1.685085
H -3.523316 1.458401 -0.508322
H -2.199888 2.486360 0.070952
H -4.564287 -0.396114 0.297729
H -5.172227 -1.630294 -0.808390
H -4.382845 -1.009234 -2.817901
H -2.655271 -1.118890 -3.174771
H -4.880147 2.045465 1.557589
H -3.554013 3.075216 2.130262
H -1.021756 -2.172855 -2.358783
H 1.343982 -1.952276 -1.698102
H -3.904732 -3.429690 0.406132
H -3.196288 -2.216148 1.506622
H -4.958418 -2.521568 1.537688
H -2.712997 -3.618229 -2.570321
H -4.455094 -3.470988 -2.212252
H -3.868291 -3.213079 -3.877800
H -3.809978 4.561419 0.079475
H -5.342423 4.464988 0.993541
H -5.135003 3.520002 -0.509955
H 1.216330 0.568917 2.102478
H 6.806607 -0.012554 0.507159
H 6.250736 1.663294 0.114377
H 8.011070 0.907694 -1.551591
H 6.432076 1.104379 -2.369823
H 7.031439 -0.536064 -1.945706


