%chk=000246844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246844

0 1
O 2.772856 0.089796 -1.568793
O -2.553906 -0.891993 1.310788
O 0.901228 -0.495289 1.882611
O -0.650948 -0.510736 -2.151774
N 0.654766 0.675970 -0.071184
N -0.735147 0.462134 -0.078953
C 2.914358 0.110954 0.757899
C -2.734246 -0.662161 -1.001905
C 3.596133 0.118671 -0.481991
C -3.365988 -0.994050 0.219969
C 1.440213 0.006432 0.905035
C -1.299370 -0.302761 -1.134849
C 3.682595 0.145667 1.933990
C -3.497051 -0.732297 -2.179928
C 4.998992 0.156294 -0.548689
C -4.714057 -1.386885 0.266934
C 5.075324 0.197219 1.879987
C -4.839910 -1.107468 -2.143890
C 5.726611 0.199870 0.640036
C -5.441026 -1.435081 -0.922032
C 3.330916 -0.037366 -2.924523
C -3.025126 -1.327446 2.635163
C 2.087249 -0.009195 -3.782925
C -1.833228 -1.020170 3.512284
H 3.164482 0.123543 2.898963
H -3.012492 -0.493023 -3.132842
H 5.514877 0.155708 -1.502715
H -5.189922 -1.645882 1.206498
H 1.040078 0.846414 -1.023087
H -1.137852 0.404629 0.879278
H 5.654516 0.229370 2.799868
H -5.417353 -1.151045 -3.064398
H 6.816809 0.235206 0.601947
H -6.490720 -1.733103 -0.898483
H 3.873636 -0.996462 -2.971366
H 4.009761 0.812700 -3.099208
H -3.925048 -0.744941 2.889731
H -3.253613 -2.404452 2.568453
H 1.217047 -0.434821 -3.232550
H 1.790910 1.006708 -4.066987
H 2.201514 -0.604491 -4.694721
H -1.850820 0.000958 3.909255
H -0.884637 -1.102854 2.933815
H -1.748512 -1.717075 4.352491


%chk=000246844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246844

0 1
O 2.882363 0.109587 -1.674981
O -2.661526 -0.925008 1.416338
O 1.050258 -0.411128 2.101831
O -0.828680 -0.407068 -2.360458
N 0.792257 -0.299349 -0.191858
N -0.570805 -0.519188 -0.066763
C 3.040837 -0.010807 0.736605
C -2.819295 -0.807676 -0.995435
C 3.690016 0.168915 -0.526595
C -3.468849 -0.985611 0.267811
C 1.573535 -0.253371 0.941712
C -1.352040 -0.564802 -1.200377
C 3.835742 0.042403 1.909075
C -3.613849 -0.862434 -2.168068
C 5.085850 0.394505 -0.591412
C -4.864748 -1.210891 0.332491
C 5.225475 0.265312 1.852024
C -5.003604 -1.085255 -2.111158
C 5.848186 0.441798 0.595816
C -5.626739 -1.259833 -0.854901
C 3.481895 0.284840 -3.017397
C -3.261778 -1.096597 2.758888
C 2.346948 0.141280 -4.027938
C -2.126531 -0.955401 3.769463
H 3.314203 -0.098862 2.861628
H -3.092057 -0.722240 -3.120641
H 5.581901 0.533491 -1.555815
H -5.361040 -1.348606 1.296941
H 1.172805 -0.178349 -1.144386
H -0.951464 -0.639543 0.885811
H 5.815905 0.301500 2.772887
H -5.593748 -1.122633 -3.032156
H 6.927944 0.617017 0.533273
H -6.706538 -1.434827 -0.792451
H 4.260668 -0.489986 -3.164216
H 3.953098 1.286625 -3.069563
H -4.038183 -0.319188 2.904476
H -3.736081 -2.096882 2.812263
H 1.872639 -0.851189 -3.953019
H 1.563202 0.897527 -3.856542
H 2.745502 0.267962 -5.051003
H -1.648785 0.035308 3.693268
H -1.345362 -1.714584 3.599115
H -2.525622 -1.079564 4.792617


