%chk=000229636.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229636

0 1
P -2.517546 -0.397769 -0.294379
O -1.843919 -0.121921 1.187725
O -4.136262 -0.571715 0.048900
O -0.235625 2.918914 -0.437678
O -1.852860 -1.573989 -0.913999
N 1.889764 -1.180838 -0.536493
C 0.793660 0.815402 -0.690827
C 1.915533 0.991337 0.205884
C 2.585059 -0.273802 0.306774
C 0.816664 -0.519140 -1.117499
C -1.305303 1.464835 -1.982259
C -0.204690 1.825761 -0.977987
C -2.624569 1.178582 -1.282891
C 2.088731 -2.645347 -0.608101
C 2.408362 2.093234 0.925286
C 3.725586 -0.445513 1.108906
C 0.931170 -3.382085 0.058825
C 3.534147 1.917947 1.714585
C 4.184941 0.662529 1.805435
C -2.130307 1.133231 1.838151
C -4.490827 -1.849038 0.624468
H -1.437927 2.340146 -2.658850
H -1.000090 0.637624 -2.653954
H 0.124318 -1.035597 -1.780184
H -2.926855 2.038015 -0.648144
H -3.443771 1.077129 -2.028929
H 2.172663 -2.940107 -1.680496
H 3.056237 -2.905439 -0.122646
H 1.892862 3.052534 0.846251
H 4.222755 -1.406858 1.180079
H 0.877771 -3.171941 1.134795
H 1.017804 -4.465222 -0.071281
H -0.048611 -3.075747 -0.357255
H 3.935290 2.756237 2.281516
H 5.065044 0.574828 2.440146
H -3.205516 1.327304 1.908259
H -1.582641 1.953705 1.347188
H -1.710766 0.975866 2.844641
H -4.123511 -1.915308 1.656514
H -4.124966 -2.685359 0.012781
H -5.589696 -1.823528 0.612341


%chk=000229636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229636

0 1
P -2.790019 -0.354881 -0.382314
O -2.061996 -0.167171 1.187779
O -4.503324 -0.410158 -0.081509
O -0.296173 2.885440 -0.305129
O -2.169161 -1.640065 -1.096444
N 1.979031 -1.180879 -0.577811
C 0.849941 0.808555 -0.670406
C 2.018867 0.989356 0.186627
C 2.707233 -0.269948 0.226327
C 0.877811 -0.535107 -1.104342
C -1.295975 1.437965 -1.972655
C -0.208784 1.771364 -0.929665
C -2.686742 1.262126 -1.319326
C 2.234274 -2.630250 -0.689318
C 2.540330 2.088484 0.912266
C 3.894869 -0.462230 0.962287
C 1.500175 -3.437517 0.402894
C 3.728547 1.904608 1.650188
C 4.397453 0.646992 1.675767
C -2.366565 1.028803 2.009504
C -5.080460 -1.678286 0.419174
H -1.356223 2.306077 -2.655112
H -1.040982 0.551948 -2.577357
H 0.132990 -1.088239 -1.676617
H -2.904125 2.095471 -0.630230
H -3.484049 1.215154 -2.080464
H 1.904133 -2.957271 -1.691269
H 3.325393 -2.793451 -0.635282
H 2.015724 3.047349 0.895095
H 4.413165 -1.426600 0.989915
H 1.828272 -3.130979 1.411337
H 1.708459 -4.515995 0.281669
H 0.409864 -3.280557 0.330812
H 4.146711 2.741941 2.219922
H 5.317203 0.537568 2.261186
H -3.457480 1.199057 2.081093
H -1.856076 1.920054 1.600939
H -1.959478 0.794608 3.004656
H -4.757269 -1.871590 1.458181
H -4.783414 -2.522140 -0.228560
H -6.170046 -1.530712 0.381790


