%chk=000232445.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232445

0 1
O -0.910616 -1.929057 0.805149
O 2.080413 -3.056344 -0.134827
O 2.733039 -2.171765 1.722875
O 1.215032 3.596153 -0.870220
O 3.149722 2.660697 -1.011617
N 2.105384 -2.150241 0.679927
N 1.952747 2.625304 -0.774291
C -2.362970 0.241079 -0.020527
C -2.876816 0.002891 1.427388
C -2.862172 -0.919296 -0.927668
C -2.914438 1.589750 -0.560932
C -0.826925 0.239679 -0.003990
C -0.090621 -0.933883 0.399824
C -2.399011 1.045451 2.432539
C -2.329083 -0.861060 -2.355262
C -4.438111 1.677491 -0.590433
C -0.091033 1.344241 -0.363001
C 1.317204 -0.941698 0.373729
C 1.334197 1.358723 -0.360359
C 2.059810 0.222683 0.015606
C 3.540167 0.165413 0.051929
C -0.431492 -3.205544 1.303652
H -3.984837 -0.018166 1.415521
H -2.568006 -1.006129 1.770157
H -2.590386 -1.894424 -0.473638
H -3.970654 -0.905110 -0.947039
H -2.524101 2.423096 0.058923
H -2.529458 1.755342 -1.588271
H -2.773940 0.821470 3.438074
H -2.748394 2.052156 2.172531
H -1.305417 1.084713 2.493206
H -2.625517 0.064771 -2.863189
H -1.234849 -0.916015 -2.386513
H -2.713806 -1.696720 -2.951691
H -4.871821 1.588550 0.412914
H -4.880233 0.890815 -1.214176
H -4.763042 2.640893 -1.001568
H -0.590221 2.280863 -0.665911
H 3.947618 -0.414818 -0.794232
H 4.031516 1.157172 -0.021454
H 3.929755 -0.287666 0.981402
H 0.045267 -3.774579 0.494404
H -1.378588 -3.680706 1.600965
H 0.215986 -3.068274 2.174592


%chk=000232445-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232445

0 1
O -0.810876 -2.066506 0.808649
O 1.777787 -3.222016 -0.247732
O 3.037143 -2.266378 1.397056
O 1.276989 3.501389 -1.308373
O 3.171054 2.885452 -0.203785
N 2.100740 -2.224238 0.509393
N 1.976701 2.643835 -0.636674
C -2.375042 0.208255 -0.052437
C -2.952643 -0.051355 1.387493
C -2.900334 -0.934540 -0.997326
C -2.877159 1.596946 -0.577254
C -0.820890 0.181195 -0.019185
C -0.068033 -0.980390 0.377556
C -2.534515 0.960465 2.476375
C -2.487340 -0.821885 -2.480844
C -4.407948 1.754708 -0.703546
C -0.061693 1.312856 -0.360295
C 1.361969 -0.956340 0.313331
C 1.352378 1.338398 -0.323245
C 2.131459 0.193903 -0.017427
C 3.643198 0.145562 -0.126850
C -0.311164 -3.083691 1.758995
H -4.056565 -0.060826 1.303961
H -2.660698 -1.068105 1.701228
H -2.556506 -1.903503 -0.597490
H -4.005279 -0.944373 -0.925175
H -2.506627 2.397749 0.092004
H -2.428512 1.793885 -1.570373
H -2.952277 0.662331 3.455636
H -2.900620 1.980904 2.261689
H -1.435410 1.014253 2.585760
H -2.906634 0.078317 -2.965955
H -1.388374 -0.788029 -2.596877
H -2.852154 -1.699949 -3.044527
H -4.922961 1.640028 0.267026
H -4.846834 1.026791 -1.408722
H -4.646097 2.765063 -1.083529
H -0.553570 2.240880 -0.651071
H 4.001839 0.820873 -0.917404
H 4.110027 0.486342 0.813578
H 4.007876 -0.872825 -0.328849
H 0.138767 -3.927633 1.212014
H -1.208537 -3.412748 2.304071
H 0.418663 -2.647150 2.463626


