%chk=000217818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217818

0 1
O 4.175321 -1.855687 -0.152025
O 5.169621 0.803747 0.596626
N -1.179239 1.164622 -0.401241
N -2.914299 -2.648341 0.370942
C -3.244024 -0.193247 -0.237043
C -0.328606 -0.035849 -0.721560
C -2.390319 -1.485790 -0.402478
C -0.940576 -1.221939 0.053511
C -2.554916 0.984285 -0.965130
C -4.678957 -0.378915 -0.765439
C -0.544204 2.429606 -0.882381
C 1.128046 0.188353 -0.353532
C 0.715168 2.662612 -0.033022
C 1.629181 1.471647 -0.058058
C -5.786410 0.067884 0.215231
C 2.000391 -0.909462 -0.355224
C 2.990679 1.651865 0.225155
C -5.780342 -0.775399 1.496677
C -5.685678 1.561429 0.545419
C 3.354718 -0.734015 -0.061637
C 3.856697 0.554758 0.221059
C 4.721002 -2.273710 1.130146
C 6.163462 0.400861 -0.385602
H -3.277050 0.057568 0.853346
H -0.349678 -0.268603 -1.823884
H -2.388733 -1.790213 -1.481404
H -0.337124 -2.138759 -0.093306
H -0.905530 -1.004596 1.139640
H -2.557197 0.817312 -2.063238
H -3.132878 1.915273 -0.777831
H -4.810627 0.168999 -1.718766
H -4.857447 -1.439086 -1.033675
H -1.257152 3.268266 -0.733061
H -0.283566 2.410946 -1.962177
H 0.417078 2.852625 1.023632
H 1.235879 3.576776 -0.377312
H -6.767190 -0.102656 -0.301096
H -3.891592 -2.817770 0.144156
H -2.874129 -2.470682 1.370633
H 1.641457 -1.914830 -0.581920
H 3.392571 2.637670 0.454102
H -4.839464 -0.665531 2.048258
H -5.919454 -1.838831 1.280024
H -6.586957 -0.471692 2.173421
H -4.756428 1.797932 1.077542
H -6.514864 1.883681 1.184396
H -5.710536 2.174562 -0.360922
H 5.269672 -1.449614 1.599547
H 5.387354 -3.093508 0.843346
H 3.909338 -2.626712 1.771875
H 7.100712 0.540545 0.162611
H 6.101498 1.069937 -1.247942
H 6.019726 -0.644524 -0.683686


%chk=000217818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217818

0 1
O 4.271617 -1.888517 -0.156253
O 5.281362 0.771731 0.559935
N -1.169216 1.126932 -0.373177
N -2.913017 -2.704167 0.420180
C -3.266307 -0.232941 -0.194959
C -0.328446 -0.066399 -0.656667
C -2.413225 -1.536653 -0.340742
C -0.947547 -1.281440 0.077878
C -2.537512 0.940887 -0.896116
C -4.710214 -0.397604 -0.753331
C -0.536277 2.396253 -0.792610
C 1.144635 0.163438 -0.298558
C 0.700902 2.649209 0.084286
C 1.638303 1.452260 0.046601
C -5.864923 0.148128 0.139954
C 2.053084 -0.922439 -0.353521
C 3.017937 1.618353 0.318248
C -6.027704 -0.669661 1.444649
C -5.715695 1.657258 0.450192
C 3.420526 -0.757790 -0.063890
C 3.916921 0.537112 0.258526
C 4.887962 -2.289312 1.129629
C 6.210582 0.516029 -0.565090
H -3.301485 0.005155 0.888494
H -0.366236 -0.293238 -1.760539
H -2.420529 -1.823208 -1.414697
H -0.373526 -2.201772 -0.125905
H -0.897254 -1.087059 1.167991
H -2.530698 0.744047 -2.003638
H -3.101365 1.878357 -0.737123
H -4.767556 0.099177 -1.744794
H -4.918539 -1.471560 -0.944625
H -1.271745 3.210853 -0.658256
H -0.241737 2.385630 -1.873688
H 0.360045 2.829745 1.122568
H 1.231822 3.560463 -0.251943
H -6.800978 0.021341 -0.445699
H -3.835647 -3.037952 0.119195
H -2.891172 -2.552211 1.436550
H 1.717361 -1.930242 -0.618697
H 3.420989 2.607069 0.565435
H -5.128147 -0.592855 2.084105
H -6.198536 -1.741099 1.227220
H -6.887933 -0.301138 2.034279
H -4.810445 1.854257 1.054940
H -6.585962 2.027344 1.024011
H -5.643058 2.254502 -0.478437
H 5.481993 -1.461519 1.558028
H 5.535587 -3.146998 0.890999
H 4.103744 -2.597470 1.847279
H 7.218365 0.695175 -0.159789
H 6.007176 1.221580 -1.393429
H 6.116121 -0.523241 -0.928293


