%chk=000276152.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276152

0 1
O 2.853271 0.541326 0.091359
O -2.987426 0.053168 0.450607
O 1.879635 -1.067358 1.350875
O -2.021626 1.664844 -0.809884
N 6.571699 0.078824 -1.174263
N -6.810901 -1.127330 -0.159877
C 6.547226 0.955886 0.051291
C 6.096368 -1.236670 -0.611036
C -6.660278 -0.100405 0.925937
C -6.240250 -0.413822 -1.353064
C 7.083901 0.072185 1.217349
C 6.784079 -1.376987 0.780235
C -7.261015 1.156784 0.236547
C -6.980944 0.950396 -1.271232
C 5.062759 1.326879 0.266499
C 4.565223 -1.093660 -0.468140
C -5.176557 0.134485 1.299859
C -4.710558 -0.217316 -1.229159
C 4.209137 0.069010 0.466254
C -4.346744 0.512478 0.068516
C 7.915178 -0.005135 -1.809005
C -6.226835 -2.459055 0.131690
C 1.774250 -0.121997 0.601532
C -1.908877 0.717052 -0.065938
C 0.535136 0.520708 0.084630
C -0.669027 0.076829 0.449087
H 7.153539 1.874051 -0.089447
H 6.341306 -2.083347 -1.284375
H -7.238261 -0.409943 1.821721
H -6.484168 -0.973601 -2.280051
H 6.604143 0.320713 2.175293
H 8.163528 0.231435 1.362098
H 7.707347 -1.971100 0.701317
H 6.140905 -1.900816 1.503254
H -8.345192 1.216674 0.428396
H -6.818093 2.088462 0.615390
H -6.384871 1.770108 -1.697244
H -7.922965 0.909551 -1.842629
H 4.690697 1.877687 -0.626011
H 4.950141 2.015066 1.121052
H 4.115774 -2.033965 -0.101470
H 4.125143 -0.903842 -1.470439
H -4.752771 -0.779209 1.765469
H -5.091982 0.919186 2.072383
H -4.321109 0.343821 -2.099129
H -4.201389 -1.200701 -1.259854
H 4.165251 -0.252102 1.528462
H -4.300621 1.612735 -0.082691
H 8.193835 0.993898 -2.182080
H 7.851040 -0.669999 -2.685875
H 8.720511 -0.369339 -1.154902
H -6.745904 -2.887749 1.004709
H -5.144781 -2.467951 0.335003
H -6.422889 -3.124711 -0.724973
H 0.686248 1.365719 -0.601537
H -0.817534 -0.768349 1.135192


%chk=000276152-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276152

0 1
O 2.894987 0.673209 -0.170075
O -2.975306 -0.161049 0.575166
O 2.013952 -0.968380 1.253436
O -2.102293 1.501951 -0.829703
N 6.888863 0.078868 -1.155821
N -7.066732 -1.008376 -0.163006
C 6.686668 1.020139 -0.005903
C 6.237066 -1.166418 -0.633216
C -6.780175 -0.086961 0.973680
C -6.342578 -0.365367 -1.296507
C 7.041423 0.180001 1.277979
C 6.736754 -1.298446 0.854571
C -7.157727 1.287142 0.343248
C -6.864612 1.098837 -1.189055
C 5.199237 1.461184 -0.022988
C 4.702734 -0.955158 -0.712911
C -5.273374 -0.141275 1.395194
C -4.791247 -0.447566 -1.108708
C 4.290517 0.237519 0.176639
C -4.379622 0.248075 0.206326
C 8.308116 -0.102539 -1.540592
C -6.890261 -2.451781 0.047329
C 1.850731 -0.025262 0.437081
C -1.934770 0.548372 -0.026767
C 0.547402 0.522036 -0.020222
C -0.629019 0.006712 0.430352
H 7.333830 1.906262 -0.124192
H 6.522628 -2.032566 -1.254872
H -7.413659 -0.343234 1.841839
H -6.623159 -0.846212 -2.250872
H 6.449619 0.498980 2.154729
H 8.106635 0.305623 1.540794
H 7.647551 -1.920913 0.904931
H 5.977565 -1.775595 1.499317
H -8.227706 1.494138 0.510419
H -6.579397 2.116830 0.788457
H -6.129291 1.827114 -1.575658
H -7.791203 1.208907 -1.776313
H 4.982600 1.921738 -1.002970
H 5.004054 2.211680 0.765448
H 4.165148 -1.866323 -0.393713
H 4.437034 -0.733319 -1.762133
H -5.016633 -1.165779 1.725620
H -5.086443 0.535498 2.249338
H -4.272871 0.023916 -1.962947
H -4.480016 -1.509482 -1.070321
H 4.268945 -0.078766 1.236218
H -4.360586 1.343216 0.057424
H 8.711285 0.861901 -1.897423
H 8.365370 -0.821118 -2.377500
H 8.973386 -0.472854 -0.723757
H -7.536886 -2.776956 0.882655
H -5.848641 -2.781011 0.278552
H -7.217257 -2.991488 -0.860148
H 0.563309 1.353173 -0.733182
H -0.642243 -0.825325 1.142431


