%chk=000179711.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179711

0 1
O -3.851254 2.266223 0.517390
O 2.371688 -0.824651 -1.520413
O 0.658987 2.014249 0.704713
O -2.112901 -3.569368 -0.986915
O -0.039460 -2.801728 -0.734566
N 0.223708 -0.140215 -0.015493
C -1.186450 -0.101273 -0.049185
C -1.907797 -1.293766 -0.391992
C -1.900287 1.067804 0.249031
C 2.539433 0.613232 0.338646
C -3.299665 1.056754 0.204367
C -3.320333 -1.254523 -0.424868
C 1.083544 0.931473 0.351433
C -4.030592 -0.103594 -0.134386
C 3.175350 -0.249145 -0.574054
C 3.345123 1.259776 1.295490
C -1.232588 -2.542253 -0.698297
C 4.558509 -0.495891 -0.531911
C 4.717862 1.026165 1.352203
C 5.320887 0.147567 0.440713
C -5.296927 2.389623 0.505554
H -1.381579 1.998722 0.518819
H 0.674758 -1.035087 -0.332599
H -3.858816 -2.173244 -0.689893
H -5.113305 -0.101858 -0.167521
H 2.870851 1.956052 1.996484
H 5.022346 -1.170612 -1.244806
H 5.323967 1.529532 2.103255
H 6.396467 -0.031753 0.491087
H -5.740443 1.724155 1.251504
H -5.685542 2.200863 -0.499103
H -5.429994 3.443008 0.788203
H 2.841528 -1.504619 -2.068658
H -1.632775 -4.417119 -1.188531


%chk=000179711-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179711

0 1
O -3.879688 2.255962 0.750657
O 2.405782 -1.470464 -0.900165
O 0.674660 1.935217 0.897474
O -2.212000 -3.477502 -1.462219
O -0.057270 -2.723791 -1.104209
N 0.225911 -0.158598 -0.083657
C -1.187508 -0.108741 -0.106506
C -1.943895 -1.249730 -0.589988
C -1.902883 1.033793 0.330142
C 2.575963 0.569518 0.360256
C -3.313887 1.065327 0.291341
C -3.362780 -1.176054 -0.612358
C 1.086892 0.835874 0.403659
C -4.065242 -0.042905 -0.183294
C 3.223772 -0.543531 -0.246564
C 3.400429 1.534353 0.998854
C -1.299598 -2.485510 -1.050192
C 4.629692 -0.692223 -0.206604
C 4.800729 1.400368 1.047458
C 5.417933 0.278361 0.444357
C -5.342295 2.370879 0.744683
H -1.358256 1.900374 0.704292
H 0.666298 -1.017708 -0.473834
H -3.908917 -2.047892 -0.980702
H -5.157402 -0.030218 -0.218233
H 2.891375 2.389701 1.454229
H 5.100829 -1.559505 -0.686483
H 5.407360 2.159491 1.550889
H 6.506502 0.160114 0.475132
H -5.807024 1.607466 1.397541
H -5.747581 2.283431 -0.281527
H -5.549292 3.375085 1.141579
H 2.871752 -2.287311 -1.196603
H -1.686060 -4.269131 -1.753704


