%chk=000258138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258138

0 1
O 0.126306 -2.310486 0.540940
O -6.641452 0.292707 1.261680
O -6.192837 0.462920 -0.921862
N 1.340347 0.792355 -0.839439
N 2.208907 -1.434551 0.675472
C -1.923049 -0.027360 0.084946
C -0.914727 -0.088964 -1.071440
C -3.352073 0.125239 -0.445412
C 0.499390 -0.163598 -0.564969
C -4.365075 0.137025 0.703937
C 0.856848 -1.388824 0.237557
C 2.670368 0.703958 -0.378446
C 3.129053 -0.407462 0.382256
C 3.570534 1.751904 -0.686436
C 4.471113 -0.463983 0.824337
C -5.762256 0.314102 0.196008
C 5.329008 0.577651 0.506844
C 4.882308 1.684279 -0.246276
H -1.838317 -0.952078 0.697328
H -1.672007 0.814935 0.758651
H -1.033986 0.797371 -1.734236
H -1.117995 -0.977806 -1.708960
H -3.593293 -0.699447 -1.148069
H -3.447894 1.056543 -1.041164
H -4.302648 -0.803816 1.297159
H -4.132272 0.945221 1.433095
H 2.516169 -2.244262 1.219866
H 4.821848 -1.314384 1.405080
H 3.208011 2.600995 -1.271248
H 6.367337 0.546792 0.841851
H 5.580179 2.487502 -0.479842
H -7.587547 0.405322 0.981689


%chk=000258138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258138

0 1
O 0.193925 -2.520975 0.313848
O -6.695089 0.496553 1.329046
O -6.233160 0.295295 -0.936389
N 1.331730 0.765422 -0.809923
N 2.286084 -1.508713 0.534422
C -1.919438 0.004873 0.081767
C -0.907823 -0.204096 -1.081298
C -3.372609 0.064179 -0.435085
C 0.520526 -0.267412 -0.602908
C -4.379001 0.258553 0.714304
C 0.944361 -1.518480 0.105943
C 2.660069 0.707895 -0.348929
C 3.171382 -0.442380 0.338929
C 3.520991 1.814530 -0.572776
C 4.515093 -0.475668 0.788905
C -5.816585 0.340645 0.241305
C 5.346293 0.634750 0.553670
C 4.852962 1.782269 -0.126867
H -1.811084 -0.826560 0.804025
H -1.670109 0.944631 0.614275
H -0.991156 0.625235 -1.805453
H -1.162082 -1.152972 -1.591787
H -3.613845 -0.867547 -0.981415
H -3.483710 0.888077 -1.165786
H -4.310106 -0.567760 1.448736
H -4.158697 1.181971 1.285928
H 2.604366 -2.355669 1.017584
H 4.899569 -1.358247 1.313829
H 3.107864 2.679442 -1.100389
H 6.385259 0.612300 0.899491
H 5.512783 2.637558 -0.302221
H -7.628466 0.552101 0.986117


