%chk=000229637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229637

0 1
P 2.672345 0.025777 1.312457
O 2.744712 1.332788 0.303216
O 2.769306 -1.253637 0.269931
O 3.724750 0.021170 2.363427
O -1.850299 -0.046071 1.999455
N -3.219948 -0.012028 -2.410477
C 0.881532 0.005186 1.786109
C 0.038155 0.002294 0.522521
C -1.448434 -0.024964 0.853068
C -2.359409 -0.024607 -0.298211
C 4.011292 2.070680 0.269980
C 4.037645 -1.988799 0.244024
C -3.801018 -0.047317 -0.192953
C -4.323049 -0.039024 -1.526721
C -2.044035 -0.003611 -1.656047
C 4.563384 1.870472 -1.136040
C 3.612761 3.511492 0.563222
C 3.643844 -3.431927 0.532078
C 4.595337 -1.782415 -1.158893
C -4.691934 -0.073696 0.896986
C -5.706081 -0.056412 -1.788511
C -6.050888 -0.090744 0.636252
C -6.552063 -0.082176 -0.692508
H 0.652026 -0.878428 2.422076
H 0.634023 0.877872 2.430161
H 0.250191 0.901360 -0.101951
H 0.278471 -0.878741 -0.117490
H 4.719925 1.686269 1.045317
H 4.741405 -1.603125 1.023258
H -1.071893 0.016393 -2.124436
H -3.278436 -0.000891 -3.410677
H 5.466081 2.465843 -1.303887
H 4.812123 0.810799 -1.322914
H 3.821945 2.156275 -1.893474
H 4.436211 4.206982 0.372703
H 3.303387 3.633096 1.609009
H 2.759565 3.816875 -0.057263
H 4.468699 -4.124304 0.336112
H 3.338000 -3.559706 1.578132
H 2.790040 -3.737001 -0.087734
H 5.506161 -2.366729 -1.321432
H 4.831924 -0.719502 -1.343310
H 3.861877 -2.076736 -1.920754
H -4.287042 -0.079957 1.912633
H -6.085810 -0.049816 -2.804154
H -6.762556 -0.111255 1.460402
H -7.631221 -0.096405 -0.841488


%chk=000229637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229637

0 1
P 2.722375 0.012354 1.277222
O 2.810161 1.261972 0.060676
O 2.801658 -1.499896 0.412070
O 3.833903 0.151590 2.418435
O -1.823549 0.368669 1.989573
N -3.363179 -0.561603 -2.311824
C 0.914242 0.053998 1.696339
C 0.023850 -0.081571 0.450041
C -1.465401 0.070168 0.805010
C -2.446930 -0.127408 -0.267818
C 4.033671 2.129782 -0.017894
C 4.106702 -2.236081 0.341611
C -3.898946 -0.003351 -0.158123
C -4.446925 -0.280952 -1.455494
C -2.172742 -0.470135 -1.604922
C 4.113058 2.577025 -1.480760
C 3.898610 3.287768 0.981308
C 3.724134 -3.712963 0.203498
C 4.937404 -1.706725 -0.837671
C -4.777217 0.314727 0.909081
C -5.831718 -0.252633 -1.722916
C -6.162693 0.345643 0.651141
C -6.684628 0.065883 -0.645871
H 0.727849 -0.760500 2.415779
H 0.723832 1.007213 2.216816
H 0.296273 0.692942 -0.293666
H 0.196056 -1.060772 -0.035118
H 4.915648 1.514242 0.251850
H 4.641675 -2.059523 1.296130
H -1.216004 -0.651543 -2.091533
H -3.442867 -0.798095 -3.299280
H 4.999680 3.219395 -1.635199
H 4.185508 1.704757 -2.152857
H 3.211906 3.153959 -1.753692
H 4.768642 3.966219 0.900604
H 3.856818 2.901053 2.014031
H 2.982626 3.869130 0.772883
H 4.633807 -4.340031 0.163389
H 3.111316 -4.036310 1.061717
H 3.144402 -3.876212 -0.722365
H 5.877759 -2.281313 -0.929955
H 5.200433 -0.643560 -0.695299
H 4.370607 -1.804398 -1.780478
H -4.369101 0.527036 1.900274
H -6.234926 -0.466648 -2.718833
H -6.857308 0.589235 1.462534
H -7.767470 0.099061 -0.809240


