%chk=000182586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182586

1 1
N 1.874132 -0.046256 -0.317383
N -4.966593 0.376191 2.263520
N 3.847477 0.329865 2.628409
C 0.440195 -0.111915 -0.771075
C -0.420421 0.025853 0.359924
C 2.614359 1.143660 -0.949794
C 2.631309 -1.344441 -0.640651
C -1.804767 0.000319 0.204601
C 1.726950 0.139804 1.184746
C -2.699681 0.117412 1.392452
C -2.313458 -0.168257 -1.120471
C 0.419976 0.178916 1.549753
C -4.158084 0.485294 1.026108
C -3.792997 -0.174507 -1.381986
C -4.638396 -0.417163 -0.130111
C -0.038483 -0.276967 -2.051168
C 1.932246 2.488030 -0.667739
C 1.965958 -2.588139 -0.038473
C -1.441443 -0.302359 -2.203271
C 2.898784 0.243929 1.974513
C 2.707213 3.614892 -1.339459
C 2.758424 -3.834363 -0.413389
H 2.678694 0.970665 -2.049109
H 3.660090 1.158023 -0.559362
H 3.676213 -1.249255 -0.259352
H 2.696408 -1.444298 -1.748983
H -2.687160 -0.843344 1.958688
H -2.324596 0.873253 2.118314
H 0.028581 0.302702 2.556544
H -4.186628 1.557628 0.692784
H -4.076682 0.801192 -1.842382
H -4.049036 -0.939014 -2.149166
H -5.705272 -0.220911 -0.356268
H -4.591118 -1.483996 0.163636
H 0.608117 -0.384823 -2.921436
H 0.884098 2.484374 -1.034559
H 1.873516 2.679149 0.424732
H 1.905569 -2.506644 1.067452
H 0.919425 -2.688718 -0.395977
H -1.848164 -0.431988 -3.212782
H -5.160949 -0.586846 2.518541
H -5.856021 0.859662 2.176938
H 2.231541 4.588190 -1.141163
H 3.738542 3.696012 -0.970956
H 2.751952 3.507427 -2.430465
H 2.294827 -4.736130 0.016291
H 2.806550 -3.996200 -1.497555
H 3.789203 -3.808611 -0.035365


%chk=000182586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182586

1 1
N 1.848852 -0.046736 -0.293276
N -5.057272 0.409480 2.256350
N 3.895006 0.324644 2.629014
C 0.418613 -0.113508 -0.750526
C -0.445580 0.020514 0.363978
C 2.613631 1.162182 -0.932166
C 2.633958 -1.359586 -0.627978
C -1.856573 -0.007318 0.204012
C 1.708656 0.136562 1.212385
C -2.780451 0.120711 1.402892
C -2.355754 -0.173783 -1.125127
C 0.381096 0.172698 1.557438
C -4.243206 0.476444 1.036670
C -3.854637 -0.177192 -1.400959
C -4.708204 -0.428638 -0.137541
C -0.042107 -0.284151 -2.053540
C 1.969945 2.530581 -0.675184
C 2.028121 -2.635485 -0.030111
C -1.451663 -0.312707 -2.213963
C 2.888175 0.239015 1.985546
C 2.803166 3.634158 -1.370680
C 2.870687 -3.860571 -0.460388
H 2.660415 0.938537 -2.012644
H 3.636512 1.119153 -0.517234
H 3.661025 -1.194685 -0.256512
H 2.660027 -1.408553 -1.730904
H -2.792087 -0.847701 1.948506
H -2.405134 0.870929 2.122929
H 0.020105 0.296182 2.579356
H -4.269289 1.528277 0.686601
H -4.129036 0.808626 -1.831137
H -4.088072 -0.922550 -2.184049
H -5.771807 -0.229692 -0.361973
H -4.633546 -1.490796 0.173386
H 0.619461 -0.394015 -2.918156
H 0.935319 2.548000 -1.062731
H 1.925057 2.736292 0.409732
H 2.013160 -2.572999 1.073102
H 0.985671 -2.764429 -0.373292
H -1.861818 -0.445562 -3.221484
H -5.172620 -0.529158 2.651507
H -5.934975 0.934133 2.228843
H 2.349161 4.622022 -1.186245
H 3.838232 3.666661 -0.985474
H 2.846089 3.485405 -2.464990
H 2.447680 -4.780971 -0.024522
H 2.880129 -3.984891 -1.558510
H 3.916282 -3.778228 -0.112853


