%chk=000276753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276753

0 1
O -3.625431 2.364533 0.125733
O 1.323244 -2.492033 -0.129348
O 3.014772 -2.642138 1.528705
N -2.921619 0.289130 0.765913
C -3.044181 -2.137060 -0.875081
C -4.170197 -1.094951 -0.913042
C -1.705313 -1.481594 -0.513693
C -4.241953 -0.300743 0.401824
C -1.813420 -0.701551 0.808172
C -2.697468 1.646418 0.469859
C -1.328720 2.174445 0.740567
C 1.973519 2.423783 -0.734626
C 0.849197 3.152413 0.020274
C 2.288912 1.093178 -0.105337
C -0.496126 2.541849 -0.235001
C 1.559374 -0.051402 -0.525848
C 1.884049 -1.238362 0.087647
C 3.276867 1.000124 0.877870
C 2.896876 -1.327806 1.087162
C 3.607999 -0.224811 1.501697
C 2.035841 -3.414352 0.762476
H -3.287582 -2.928551 -0.140711
H -2.964597 -2.642940 -1.855406
H -4.010356 -0.397221 -1.758756
H -5.142307 -1.585697 -1.103344
H -0.904708 -2.244874 -0.430172
H -1.390509 -0.801595 -1.328084
H -4.994136 0.519891 0.318561
H -4.559469 -0.957512 1.240371
H -2.019740 -1.400163 1.650545
H -0.849452 -0.198788 1.039999
H -1.096415 2.280693 1.801145
H 1.697841 2.293482 -1.801724
H 2.878577 3.066540 -0.750630
H 0.818892 4.218184 -0.297733
H 1.084706 3.176785 1.105003
H -0.761965 2.428466 -1.289298
H 0.787769 0.016063 -1.286876
H 3.818968 1.893961 1.185345
H 4.380174 -0.285023 2.263232
H 2.584041 -4.130667 0.136386
H 1.304744 -3.829106 1.468322


%chk=000276753-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276753

0 1
O -2.823387 2.077774 -1.239533
O 1.394583 -2.167402 -0.831499
O 2.915323 -2.729109 0.932958
N -2.981619 0.319272 0.280572
C -3.459184 -2.557927 -0.021488
C -4.002157 -1.531804 -1.044543
C -2.187218 -2.015644 0.673034
C -4.222428 -0.153583 -0.378510
C -2.451444 -0.619406 1.293664
C -2.346756 1.457579 -0.226903
C -1.099713 1.936285 0.449557
C 2.219581 2.822336 -0.334825
C 0.972586 3.416988 0.419121
C 2.469671 1.358811 -0.002438
C -0.330206 2.895814 -0.133150
C 1.773321 0.329271 -0.706470
C 2.009956 -0.989891 -0.319179
C 3.362653 1.010634 1.045021
C 2.900477 -1.322289 0.723239
C 3.595249 -0.339140 1.430408
C 2.159927 -3.285238 -0.219637
H -4.238479 -2.756871 0.744368
H -3.244168 -3.523192 -0.517581
H -3.283563 -1.414104 -1.878403
H -4.957847 -1.883395 -1.478503
H -1.856210 -2.705801 1.473904
H -1.359229 -1.935818 -0.058245
H -4.512134 0.609961 -1.117340
H -5.019565 -0.232329 0.390567
H -3.201673 -0.719497 2.107042
H -1.526721 -0.225862 1.738926
H -0.796314 1.520074 1.416284
H 2.069094 2.955254 -1.423243
H 3.104427 3.424746 -0.055830
H 1.006185 4.519133 0.308524
H 1.066555 3.185188 1.496582
H -0.668611 3.287792 -1.104395
H 1.074450 0.566760 -1.512525
H 3.898304 1.808043 1.573075
H 4.285616 -0.596571 2.237687
H 2.877543 -3.680471 -0.964600
H 1.453823 -4.045375 0.146406


