%chk=000246863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246863

0 1
O 2.452270 0.327896 -0.003089
O -3.860420 -2.512116 0.249127
O -5.938964 1.158144 0.028964
O 0.920099 2.026506 -0.098503
O -6.094797 -1.095148 0.178983
N 0.294906 -0.251294 0.057798
C -1.122277 -0.164591 0.066691
C -3.934769 -0.085344 0.090209
C 4.781533 0.488425 -0.038232
C -1.832129 -1.369791 0.153218
C 3.538447 1.325490 -0.080270
C -3.237118 -1.320869 0.164343
C -1.797965 1.079191 -0.008139
C -3.179904 1.105530 0.004179
C 5.375738 0.175408 1.193460
C 5.350432 0.016092 -1.230449
C 1.174016 0.846456 -0.023623
C 6.541293 -0.594801 1.228724
C 6.516054 -0.753696 -1.188833
C -5.387695 -0.094003 0.105653
C 7.112930 -1.057984 0.039068
C -7.393863 1.220110 0.039339
H -1.345054 -2.340350 0.212131
H 3.427235 2.010539 0.779755
H 3.408235 1.891941 -1.020204
H -1.227443 2.011713 -0.075117
H -3.715901 2.059592 -0.053229
H 0.720467 -1.186510 0.114995
H 4.927826 0.527089 2.122135
H 4.882833 0.243818 -2.187651
H 7.003337 -0.836236 2.185005
H 6.958449 -1.118837 -2.114688
H 8.021698 -1.657569 0.068988
H -4.894922 -2.428711 0.254344
H -7.772923 0.787400 0.970730
H -7.789326 0.681581 -0.827818
H -7.580526 2.297427 -0.022399


%chk=000246863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246863

0 1
O 2.534718 0.423424 1.811705
O -3.976574 -2.083018 1.522083
O -5.467398 0.776813 -1.247561
O 1.382502 1.766984 0.250469
O -5.884775 -1.083641 0.084138
N 0.372741 -0.052424 1.397222
C -0.961728 -0.037118 0.928204
C -3.667312 -0.112986 0.068254
C 4.612090 0.503472 0.433565
C -1.828471 -1.037725 1.426321
C 3.802556 1.181496 1.516459
C -3.173941 -1.086923 1.007042
C -1.436430 0.935615 -0.005538
C -2.772763 0.881043 -0.416018
C 5.590844 -0.465799 0.770472
C 4.399374 0.827660 -0.931806
C 1.410791 0.807905 1.060449
C 6.342938 -1.107108 -0.238644
C 5.149932 0.185949 -1.941563
C -5.068465 -0.192816 -0.344035
C 6.122810 -0.782075 -1.597651
C -6.884782 0.714198 -1.679974
H -1.484320 -1.792631 2.141014
H 4.321139 1.174706 2.487715
H 3.517850 2.209722 1.235167
H -0.756757 1.700104 -0.383374
H -3.155135 1.617077 -1.129117
H 0.626725 -0.779433 2.070466
H 5.761162 -0.718719 1.824334
H 3.638866 1.572440 -1.192747
H 7.098205 -1.853481 0.031462
H 4.979290 0.441126 -2.993291
H 6.706323 -1.277545 -2.381826
H -4.909301 -1.973133 1.116938
H -7.553401 0.833784 -0.811450
H -7.092009 -0.252953 -2.167105
H -6.995489 1.548506 -2.386187


