%chk=000245531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245531

0 1
O -4.504316 2.342740 -1.132260
O 4.010839 3.032971 0.125814
O 0.296148 0.185731 1.638441
O 2.227221 -3.121538 -1.339299
O -2.462241 -2.800983 -0.714986
N -2.684358 0.524686 0.112268
N 2.881775 0.472425 0.678674
C -2.282553 -0.598025 1.027821
C 2.771535 -1.023358 0.600560
C -3.654454 0.054145 -0.928897
C -3.283565 1.661944 0.885163
C 4.188172 0.885782 1.289637
C 2.710835 1.115476 -0.665962
C -1.078564 -1.289487 0.450025
C 1.385693 -1.437018 0.200213
C 0.226866 -0.836682 0.754341
C -3.965013 1.225441 -1.871565
C -3.608353 2.798696 -0.097581
C 4.203218 2.418973 1.414008
C 2.766581 2.639947 -0.491013
C 1.184257 -2.490965 -0.712070
C -1.189826 -2.366063 -0.442613
C -0.080725 -2.984676 -1.040484
H -3.097869 -1.338178 1.193294
H -2.013643 -0.186603 2.029209
H 3.523273 -1.478417 -0.093107
H 2.992397 -1.432712 1.616489
H -3.180389 -0.780383 -1.492165
H -4.597620 -0.342642 -0.495648
H -4.199335 1.374825 1.444079
H -2.533068 2.011063 1.626769
H 4.275415 0.424245 2.295965
H 5.064664 0.550891 0.693753
H 3.480686 0.788841 -1.396740
H 1.719649 0.814663 -1.076600
H -4.781350 0.992628 -2.576082
H -3.066432 1.560735 -2.418292
H -2.694827 3.201250 -0.569463
H -4.187576 3.608939 0.377072
H 5.194471 2.801890 1.715444
H 3.425246 2.782624 2.108290
H 1.926009 3.017430 0.117781
H 2.804425 3.170353 -1.459143
H -0.176594 -3.808277 -1.737187
H 1.239040 0.596449 1.685398
H 3.107382 -2.708138 -1.106123
H -2.462326 -3.587238 -1.319929


%chk=000245531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245531

0 1
O -4.453952 2.443640 -1.135511
O 3.903893 3.111770 0.055109
O 0.453524 0.251246 1.492809
O 2.195001 -3.427217 -1.272748
O -2.554628 -2.942237 -0.500096
N -2.640348 0.628227 0.229291
N 2.850292 0.456691 0.565783
C -2.238837 -0.546908 1.061265
C 2.792064 -1.042458 0.487959
C -3.295114 0.243313 -1.045482
C -3.503730 1.567023 0.988026
C 4.079386 0.946898 1.256786
C 2.698141 1.108432 -0.773623
C -1.072137 -1.310469 0.468124
C 1.396703 -1.529022 0.126082
C 0.257099 -0.864802 0.689516
C -3.596227 1.500214 -1.875743
C -3.800349 2.809609 0.132898
C 4.032499 2.480078 1.375681
C 2.675653 2.634902 -0.606034
C 1.160795 -2.677344 -0.670833
C -1.234843 -2.481222 -0.312405
C -0.142190 -3.165206 -0.890862
H -3.097053 -1.240867 1.220498
H -1.926233 -0.146808 2.041947
H 3.568743 -1.409253 -0.227480
H 3.081569 -1.415580 1.492038
H -2.617260 -0.420111 -1.611740
H -4.244949 -0.320649 -0.864803
H -4.474197 1.092603 1.287437
H -2.973497 1.873644 1.909943
H 4.125841 0.493051 2.264462
H 4.990786 0.644587 0.692042
H 3.542760 0.816446 -1.437798
H 1.754280 0.758954 -1.228362
H -4.159349 1.249650 -2.790583
H -2.641988 2.002324 -2.147999
H -2.849485 3.345701 -0.078463
H -4.505734 3.487637 0.642261
H 4.971673 2.867962 1.802210
H 3.181049 2.780796 2.024248
H 1.784258 2.937197 -0.015674
H 2.652804 3.137127 -1.586120
H -0.272604 -4.064658 -1.501668
H 1.444652 0.564846 1.317486
H 3.077465 -3.009595 -1.114296
H -2.555427 -3.775763 -1.032280


