%chk=000185878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185878

0 1
O 4.082828 -0.682707 -1.074494
O 2.635760 -0.581493 0.750233
O -7.137512 1.515535 0.585858
C 4.917784 -0.265181 1.227745
C 3.934532 -0.994243 0.307639
C 5.017123 1.226463 0.886389
C 5.243986 1.424813 -0.617500
C -0.975541 -0.908073 -0.144694
C 4.133518 0.726467 -1.403007
C 0.315414 -0.373017 0.482813
C -2.188470 -0.070222 0.281589
C 1.523382 -1.204676 0.053862
C -3.485153 -0.602828 -0.343212
C -4.691780 0.240974 0.082806
C -5.994411 -0.282162 -0.531434
C -7.195068 0.543332 -0.131787
H 4.592191 -0.390919 2.279770
H 5.911259 -0.745295 1.139008
H 4.024966 -2.099887 0.307078
H 4.080398 1.734430 1.195793
H 5.834233 1.694475 1.464665
H 6.228402 1.010252 -0.909789
H 5.272370 2.500656 -0.867775
H -0.887528 -0.907581 -1.248734
H -1.127781 -1.965399 0.147548
H 4.323438 0.698934 -2.489460
H 3.139434 1.158459 -1.191113
H 0.244978 -0.370812 1.589232
H 0.481127 0.686395 0.202716
H -2.036489 0.987750 -0.008856
H -2.275140 -0.067462 1.385848
H 1.459967 -2.254116 0.386080
H 1.708766 -1.162344 -1.033859
H -3.396002 -0.606938 -1.446701
H -3.637671 -1.658892 -0.048082
H -4.783882 0.256463 1.187901
H -4.545807 1.301489 -0.207295
H -6.160560 -1.338350 -0.233978
H -5.915433 -0.300025 -1.638352
H -8.155326 0.193736 -0.548150


%chk=000185878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185878

0 1
O 4.231659 -0.707530 -1.121256
O 2.664914 -0.357200 0.695198
O -7.490283 1.367183 0.597521
C 5.016506 -0.358367 1.222906
C 3.940232 -0.946395 0.297690
C 5.262717 1.138429 0.919630
C 5.573295 1.330742 -0.584116
C -1.043111 -0.792368 -0.139148
C 4.440499 0.728299 -1.433027
C 0.252729 -0.201528 0.461953
C -2.307576 -0.004901 0.270825
C 1.500375 -0.976260 0.030046
C -3.609311 -0.595596 -0.315385
C -4.868197 0.200269 0.093235
C -6.160662 -0.396111 -0.492419
C -7.434559 0.343090 -0.124649
H 4.700351 -0.506580 2.270934
H 5.949944 -0.931465 1.062564
H 3.887441 -2.052609 0.357565
H 4.357690 1.716143 1.187433
H 6.094744 1.518567 1.540834
H 6.527146 0.828193 -0.838597
H 5.684633 2.404934 -0.829644
H -0.965727 -0.808304 -1.246608
H -1.151242 -1.849968 0.181004
H 4.674295 0.740833 -2.510346
H 3.494712 1.280613 -1.256710
H 0.192956 -0.206485 1.567703
H 0.365076 0.856196 0.153270
H -2.203798 1.050496 -0.056077
H -2.381818 0.019078 1.377784
H 1.430121 -2.044182 0.336101
H 1.637480 -0.939843 -1.069652
H -3.530874 -0.623908 -1.422831
H -3.712879 -1.650513 0.016035
H -4.951567 0.235431 1.196687
H -4.772334 1.253488 -0.234397
H -6.292352 -1.455022 -0.176756
H -6.114619 -0.439663 -1.603379
H -8.372305 -0.099184 -0.555618


