%chk=000196793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196793

0 1
P -3.636492 -1.098726 1.453705
O -1.369213 3.284609 0.656558
O -0.537725 3.193095 -2.575610
O -3.015516 2.851653 -2.054874
O -3.594529 0.514566 1.147919
O -4.514219 -1.651850 0.173805
O -4.795304 -1.120505 2.607208
O -2.375353 -1.795688 1.737899
O -0.996185 -2.944110 -1.306713
O -1.240865 -0.684129 -1.221291
N 0.821733 2.471819 0.597833
N 1.993085 1.777090 2.453779
N 2.399530 1.630451 -1.171372
N 4.360424 0.513902 -0.213803
N 4.682958 0.236394 2.115990
C -0.665371 2.329139 -1.452232
C -2.180258 2.048080 -1.245615
C -0.229430 3.149287 -0.199750
C -2.416603 2.350658 0.254637
C -2.271973 1.116934 1.157207
C 1.970413 1.831931 0.120383
C 0.894447 2.408672 2.032767
C 2.690045 1.403521 1.291693
C 3.923523 0.718524 1.079659
C 3.583249 0.966397 -1.250219
C -3.925206 -2.713234 -0.612088
C -3.137428 -2.111923 -1.777619
C -1.719358 -1.780129 -1.402637
C 0.335992 -2.874416 -0.821237
C 0.569587 -2.534537 0.512647
C 1.344448 -3.239880 -1.715051
C 2.935984 -2.923862 0.098842
C 1.889339 -2.561355 0.965513
C 2.655095 -3.267620 -1.236043
C 4.350485 -2.927808 0.577018
H -0.092174 1.383853 -1.599960
H -2.468622 1.004659 -1.519887
H 0.087059 4.194225 -0.442445
H -3.364692 2.901240 0.437923
H -1.487394 0.416707 0.794129
H -2.050157 1.421957 2.200272
H 0.296915 2.983702 -3.061633
H -2.571973 3.702830 -2.297727
H 0.116041 2.847088 2.646163
H 3.977364 0.769053 -2.262132
H 5.593388 -0.158643 1.942211
H 4.429668 0.458314 3.067919
H -5.609877 -0.570781 2.436661
H -4.827042 -3.249347 -0.977840
H -3.306665 -3.398877 0.005282
H -3.144263 -2.817766 -2.638770
H -3.650639 -1.187529 -2.138889
H -0.260922 -2.259871 1.174397
H 1.108135 -3.496993 -2.744158
H 2.104329 -2.293554 1.999750
H 3.466404 -3.549954 -1.905002
H 4.907113 -2.085577 0.129444
H 4.875060 -3.851031 0.297235
H 4.430437 -2.826255 1.666150


%chk=000196793-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196793

0 1
P -3.878325 -1.366728 0.941784
O -0.945061 2.807251 1.507429
O -0.896998 2.976620 -2.167640
O -3.094819 3.478466 -0.714095
O -3.536123 0.134565 1.690762
O -3.804914 -0.944201 -0.736969
O -5.533969 -1.434613 1.348918
O -3.076203 -2.683277 1.303203
O -0.552191 -3.277061 -1.378485
O -0.539931 -1.092372 -0.528158
N 1.144992 3.065572 0.392540
N 3.239720 2.903737 1.316379
N 1.779799 3.202696 -2.014775
N 4.207458 3.111098 -2.333675
N 5.731687 2.910644 -0.540978
C -0.927164 2.351249 -0.863276
C -2.390415 2.240724 -0.377421
C -0.314234 3.235651 0.261635
C -2.256377 2.148075 1.152816
C -2.161429 0.720479 1.710191
C 2.043903 3.099885 -0.672824
C 1.915629 2.953820 1.562545
C 3.331700 2.998936 -0.084227
C 4.441932 3.005303 -0.978737
C 2.920719 3.202058 -2.771101
C -3.473761 -1.982600 -1.751424
C -2.077169 -1.711493 -2.352487
C -0.980650 -1.945526 -1.329331
C 0.352504 -3.778504 -0.368345
C -0.077688 -3.892439 0.968189
C 1.616253 -4.223932 -0.789632
C 2.098009 -4.926224 1.525078
C 0.807583 -4.466744 1.903869
C 2.484808 -4.798304 0.167159
C 3.030997 -5.543315 2.553088
H -0.440254 1.356095 -0.855455
H -2.910652 1.362385 -0.800375
H -0.542000 4.302904 0.065052
H -3.065284 2.712307 1.645820
H -1.455463 0.100118 1.130062
H -1.850720 0.752425 2.766705
H 0.098171 3.132220 -2.385804
H -2.725324 3.762838 -1.597176
H 1.448205 2.901288 2.541292
H 2.785110 3.282268 -3.853093
H 6.488381 2.920030 -1.222118
H 5.923197 2.827527 0.455617
H -5.928418 -0.554847 1.584467
H -4.245734 -1.876195 -2.530555
H -3.523815 -2.992176 -1.303916
H -1.937097 -2.390835 -3.211175
H -2.028015 -0.666128 -2.699862
H -1.076660 -3.548629 1.259338
H 1.909458 -4.125895 -1.839413
H 0.486314 -4.563977 2.947957
H 3.473433 -5.150147 -0.149512
H 3.243236 -4.836698 3.377146
H 3.995256 -5.834385 2.102558
H 2.585204 -6.447587 3.008441


