%chk=000221146.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221146

0 1
O -3.351604 -1.590623 0.805427
N -4.726502 -0.027160 -0.088429
C 0.269654 0.502326 -0.121662
C 1.575702 -0.201969 0.270818
C -0.949600 -0.351067 0.244219
C 2.802016 0.646811 -0.090532
C -2.260214 0.344113 -0.145910
C 4.105748 -0.060766 0.301153
C -3.451734 -0.511912 0.237335
C 5.335626 0.787981 -0.057093
C -5.922758 -0.833636 0.283278
C -4.973585 1.289158 -0.722784
C 6.606426 0.089386 0.326493
C -6.496390 -1.574152 -0.923876
C -5.003206 2.422578 0.304014
C 7.613829 -0.124517 -0.525572
C 8.885932 -0.805015 -0.144873
H 0.271068 0.716332 -1.207742
H 0.208791 1.486504 0.381342
H 1.574192 -0.419768 1.356667
H 1.637683 -1.187128 -0.231420
H -0.957789 -0.575443 1.330747
H -0.894311 -1.342962 -0.249327
H 2.741261 1.630322 0.413893
H 2.802970 0.863601 -1.176149
H -2.271199 0.547880 -1.235827
H -2.329757 1.332277 0.353602
H 4.104195 -0.283604 1.385539
H 4.172895 -1.042562 -0.207088
H 5.288513 1.765653 0.467213
H 5.320398 1.031180 -1.138420
H -6.686702 -0.166524 0.736413
H -5.620282 -1.571401 1.069017
H -5.943486 1.248893 -1.270294
H -4.195550 1.486259 -1.494281
H 6.655230 -0.231903 1.366669
H -7.356909 -2.186853 -0.632253
H -5.749419 -2.249537 -1.363248
H -6.823825 -0.892201 -1.714808
H -5.204805 3.386182 -0.176543
H -4.052532 2.512155 0.843401
H -5.781140 2.261150 1.060705
H 7.563733 0.192263 -1.567904
H 9.043357 -1.709118 -0.749812
H 8.909883 -1.112365 0.908531
H 9.749495 -0.145818 -0.310529


%chk=000221146-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221146

0 1
O -3.422211 -1.773838 0.491707
N -4.785404 0.021861 -0.061703
C 0.259340 0.424293 -0.256364
C 1.589747 -0.218689 0.196147
C -0.980959 -0.396027 0.160309
C 2.834407 0.595177 -0.223427
C -2.299330 0.276433 -0.272006
C 4.164837 -0.035389 0.244755
C -3.532722 -0.571857 0.084383
C 5.407998 0.787384 -0.189017
C -5.986971 -0.780630 0.275720
C -5.006649 1.402046 -0.544136
C 6.710784 0.211367 0.325997
C -6.548381 -1.547431 -0.940955
C -5.176106 2.430105 0.598539
C 7.746057 -0.204546 -0.450152
C 9.044264 -0.788101 0.063331
H 0.270567 0.545105 -1.360667
H 0.189749 1.449088 0.167295
H 1.582151 -0.335031 1.300015
H 1.662200 -1.243996 -0.222324
H -0.988492 -0.538687 1.258082
H -0.933486 -1.411642 -0.273676
H 2.754096 1.624844 0.185397
H 2.848317 0.700963 -1.328676
H -2.282572 0.443276 -1.370246
H -2.377313 1.280228 0.191183
H 4.157535 -0.131217 1.350488
H 4.253976 -1.064808 -0.156569
H 5.283783 1.825503 0.188390
H 5.439549 0.854241 -1.294797
H -6.751974 -0.098276 0.692953
H -5.695626 -1.498650 1.060646
H -5.914937 1.398617 -1.177549
H -4.171987 1.701662 -1.199841
H 6.799710 0.122184 1.421587
H -7.456069 -2.110950 -0.655905
H -5.797993 -2.265557 -1.312714
H -6.817866 -0.861332 -1.765515
H -5.376883 3.437038 0.187919
H -4.264892 2.484213 1.220342
H -6.019358 2.155118 1.257157
H 7.649949 -0.116987 -1.544405
H 9.206758 -1.811639 -0.328330
H 9.054403 -0.838632 1.166736
H 9.913300 -0.181834 -0.260005


