%chk=000274229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274229

0 1
P -0.642098 1.144261 -0.362208
O -1.319852 -0.267590 -0.900502
O -1.814472 1.812069 0.603466
O -0.231017 2.011865 -1.473244
O -4.450156 -1.069129 -0.858113
O -4.993678 0.887634 0.135362
N 0.547956 0.652395 0.819002
C 1.897368 0.203956 0.326829
C 4.067633 -0.806616 1.146173
C 3.140036 -1.459990 -1.103353
C 4.084744 0.851947 -0.752179
C 2.673689 -0.302822 1.575881
C 1.739758 -0.960171 -0.683821
C 2.691840 1.363831 -0.331026
C 3.907953 -1.963685 0.137270
C 4.852811 0.348617 0.489269
C 3.922502 -0.304221 -1.762534
C -3.017370 -0.368426 0.909383
C -1.915848 -1.099433 0.106668
C -2.479254 0.943331 1.532007
C -3.511393 -1.287718 2.033957
C -4.240137 -0.048700 0.039683
C -5.552355 -0.897883 -1.791958
H 4.618657 -1.168448 2.042860
H 3.024320 -2.293369 -1.832232
H 4.651188 1.683870 -1.227831
H 2.778309 0.501469 2.323461
H 2.107438 -1.112873 2.068003
H 1.182661 -0.647085 -1.587808
H 1.156658 -1.783579 -0.235568
H 2.156830 1.760761 -1.219574
H 2.789524 2.216272 0.360904
H 4.898103 -2.351543 -0.158856
H 3.372211 -2.808304 0.603202
H 4.998740 1.172270 1.208900
H 5.862635 0.008844 0.200997
H 4.910591 -0.655974 -2.104922
H 3.391338 0.050973 -2.664087
H 0.643220 1.280723 1.640204
H -1.129183 -1.504771 0.773999
H -2.346720 -1.924375 -0.504792
H -3.319095 1.591571 1.877133
H -1.801859 0.733512 2.381911
H -2.701446 -1.568230 2.718478
H -4.297052 -0.809653 2.635673
H -3.937158 -2.218632 1.631867
H -5.672285 -1.902934 -2.208362
H -5.248167 -0.173314 -2.555015
H -6.449915 -0.556604 -1.265759


%chk=000274229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274229

0 1
P -0.665649 0.976078 -0.457557
O -1.440643 -0.545151 -0.822949
O -1.812270 1.743331 0.611382
O -0.352203 1.764729 -1.792082
O -4.561581 -1.091213 -0.849339
O -4.995765 0.998989 0.071071
N 0.609052 0.629296 0.675302
C 1.977234 0.198906 0.251562
C 4.134073 -0.825544 1.127190
C 3.306325 -1.405203 -1.199403
C 4.222421 0.910270 -0.721093
C 2.704955 -0.350880 1.509347
C 1.880338 -0.927384 -0.813114
C 2.796520 1.388936 -0.335444
C 4.029634 -1.950857 0.062090
C 4.941890 0.366362 0.543136
C 4.113693 -0.214882 -1.785333
C -3.162878 -0.393446 1.002752
C -2.059482 -1.245587 0.326134
C -2.562555 0.910982 1.587861
C -3.777981 -1.213748 2.175691
C -4.311428 -0.046358 0.034039
C -5.654475 -0.859649 -1.826498
H 4.640020 -1.213110 2.033320
H 3.221541 -2.207756 -1.957672
H 4.792649 1.763340 -1.137851
H 2.764488 0.443210 2.283665
H 2.117401 -1.187528 1.935211
H 1.354015 -0.554931 -1.714198
H 1.285611 -1.768758 -0.407444
H 2.264740 1.796305 -1.216517
H 2.857165 2.199682 0.419930
H 5.042558 -2.310074 -0.207514
H 3.473124 -2.816279 0.475225
H 5.038169 1.169988 1.301016
H 5.967573 0.034748 0.285801
H 5.125154 -0.555038 -2.084625
H 3.613747 0.172259 -2.694945
H 0.596746 1.251261 1.493631
H -1.278140 -1.491660 1.074716
H -2.477672 -2.164205 -0.110089
H -3.363845 1.581802 1.935627
H -1.891513 0.646031 2.430345
H -2.993913 -1.500208 2.900728
H -4.543115 -0.622264 2.708893
H -4.253402 -2.134387 1.795893
H -5.694414 -1.779835 -2.425339
H -5.413053 0.013632 -2.454194
H -6.606658 -0.680105 -1.299558


