%chk=000280466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280466

0 1
O -3.233992 1.461274 0.381203
O -2.238273 -3.185297 1.876063
O -0.688329 0.214776 -3.261197
O -4.455519 1.671019 -1.511818
O -0.966266 -1.408848 1.294129
O 6.644307 0.644824 1.256829
N -1.315029 0.148983 -1.068843
N 5.059493 0.952341 -0.348441
C -2.729447 -0.069469 -1.397227
C -3.280417 -1.399766 -0.845031
C -3.342395 -1.506780 0.679595
C 1.046866 0.456703 -1.607320
C 3.691986 0.782822 -0.784206
C 3.373043 -0.228876 -1.717961
C 2.688113 1.634966 -0.266263
C -0.362279 0.267204 -2.086855
C -3.579702 1.111232 -0.901041
C 2.039409 -0.376493 -2.128289
C 1.362145 1.458033 -0.684882
C -2.042258 -1.966825 1.280705
C 4.412613 -1.135550 -2.287424
C 3.009167 2.702693 0.726260
C 5.968046 1.707807 -1.240933
C -3.930646 2.592674 0.998707
C 5.493287 0.469500 0.889682
C -1.110787 -3.813744 2.570283
C -5.303621 2.161231 1.468140
C -0.908293 -3.157721 3.919003
H -2.837867 -0.080127 -2.532179
H -2.673679 -2.231967 -1.264491
H -4.303031 -1.550087 -1.256215
H -4.161880 -2.200608 0.974623
H -3.602899 -0.518651 1.137590
H -1.050919 0.078844 -0.074762
H 1.775119 -1.137471 -2.865369
H 0.579419 2.109220 -0.294448
H 4.006575 -2.122989 -2.547762
H 5.250788 -1.308099 -1.596157
H 4.838652 -0.709787 -3.209189
H 2.242916 3.489122 0.760407
H 3.965771 3.201470 0.507841
H 3.089863 2.286862 1.741904
H 6.088422 1.191779 -2.206831
H 5.582198 2.722708 -1.427855
H 6.965923 1.794221 -0.765348
H -3.972473 3.418643 0.265989
H -3.238634 2.833641 1.826153
H 4.732184 -0.069950 1.473068
H -0.218846 -3.743632 1.922831
H -1.468943 -4.857403 2.639433
H -5.805493 2.964178 2.022844
H -5.257337 1.283948 2.123633
H -5.950960 1.903245 0.615306
H -0.547729 -2.123754 3.809566
H -1.841994 -3.117694 4.494624
H -0.169168 -3.700072 4.521326


%chk=000280466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280466

0 1
O -3.030730 1.284496 -0.569111
O -2.620286 -2.225035 3.166418
O -0.940026 0.582604 -2.920044
O -4.510501 0.478005 -2.184583
O -1.058853 -2.023965 1.461453
O 7.287363 -0.201427 -0.556948
N -1.264439 -0.783490 -1.086743
N 5.124199 0.727819 -0.573016
C -2.671019 -0.974690 -1.431367
C -3.353995 -2.004563 -0.487118
C -3.463621 -1.605953 1.010804
C 0.985082 0.149742 -1.490942
C 3.724415 0.528119 -0.895438
C 3.164749 1.166405 -2.040129
C 2.930625 -0.298137 -0.046252
C -0.464462 0.005129 -1.884696
C -3.493818 0.330138 -1.470420
C 1.795097 0.961994 -2.317378
C 1.563256 -0.477771 -0.358934
C -2.255822 -1.965547 1.859331
C 4.004286 2.041259 -2.952974
C 3.530356 -0.977957 1.172876
C 5.545679 1.983948 0.077363
C -3.731469 2.608323 -0.591041
C 6.056067 -0.271141 -0.830293
C -1.517132 -2.522027 4.143084
C -4.957895 2.596015 0.325790
C -0.935434 -1.225200 4.709693
H -2.749025 -1.359517 -2.466669
H -2.822211 -2.969495 -0.584403
H -4.376202 -2.158965 -0.875255
H -4.347452 -2.076490 1.473548
H -3.610265 -0.510428 1.100854
H -0.930530 -1.220802 -0.216151
H 1.323934 1.425447 -3.191089
H 0.968053 -1.114270 0.305261
H 3.589186 2.049273 -3.974797
H 5.051296 1.696121 -3.002817
H 4.021041 3.091077 -2.599934
H 2.735757 -1.371765 1.828977
H 4.158063 -0.285105 1.761443
H 4.180319 -1.827332 0.889504
H 5.368418 2.852051 -0.582496
H 4.991543 2.138300 1.021223
H 6.624569 1.903454 0.290066
H -4.010971 2.832090 -1.635045
H -2.958815 3.312923 -0.245021
H 5.591541 -1.153637 -1.323596
H -0.748859 -3.122676 3.626216
H -2.020330 -3.125357 4.914495
H -5.407712 3.605795 0.357445
H -4.680338 2.314346 1.357044
H -5.719700 1.892907 -0.050191
H -0.436245 -0.636475 3.921862
H -1.723708 -0.608167 5.173683
H -0.185830 -1.466092 5.485855


