%chk=000240282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240282

0 1
P 0.741803 -1.249380 0.715796
P -1.525280 1.790628 0.103690
O 0.211783 -1.218671 -0.849667
O 2.282415 -0.686235 0.469791
O -1.152798 0.338262 0.801650
O -1.705157 2.751456 1.408083
O -0.086036 2.333340 -0.446570
O 0.591748 -2.550983 1.403930
O -2.644472 1.669048 -0.844937
C 0.072378 0.296755 1.544940
C -0.742945 -2.256835 -1.223437
C 3.254243 -1.630018 -0.051768
C -2.165394 -1.743995 -1.021492
C 3.712246 -2.603069 1.033472
C -3.190947 -2.785322 -1.488058
C 4.947765 -3.388149 0.576328
C -2.670473 3.857502 1.286090
C 0.383841 1.785358 -1.734298
C -4.617860 -2.274333 -1.304264
C 5.406589 -4.376540 1.645610
C -2.013330 4.996929 0.519708
C -2.952565 4.191563 2.744045
C -0.219551 2.630603 -2.846603
C 1.893924 1.919867 -1.610216
H -0.181641 0.157739 2.612401
H 0.742465 1.172499 1.430033
H -0.497485 -2.398628 -2.294464
H -0.546966 -3.197211 -0.670556
H 4.067926 -0.942400 -0.362318
H 2.852800 -2.139091 -0.946480
H -2.346337 -1.484606 0.043785
H -2.313929 -0.788268 -1.568924
H 2.894093 -3.307132 1.307564
H 3.931858 -2.046688 1.966728
H -3.056922 -3.728990 -0.922810
H -3.019853 -3.035814 -2.553263
H 5.774175 -2.690717 0.335163
H 4.722301 -3.934102 -0.361295
H -3.587476 3.483062 0.770552
H 0.079649 0.711626 -1.820690
H -4.843789 -2.083227 -0.248350
H -5.351852 -2.996488 -1.675898
H -4.778141 -1.329275 -1.839459
H 5.676982 -3.867415 2.578036
H 6.283362 -4.943176 1.313169
H 4.619540 -5.101031 1.889001
H -0.951483 5.095627 0.791574
H -2.494019 5.957651 0.736572
H -2.055325 4.853893 -0.567428
H -3.313817 3.305498 3.284073
H -3.704092 4.981357 2.840319
H -2.040641 4.519907 3.260724
H -1.301216 2.454175 -2.955198
H 0.243525 2.408778 -3.813992
H -0.085850 3.701935 -2.651238
H 2.295494 1.219786 -0.860231
H 2.397453 1.718874 -2.560377
H 2.172884 2.929767 -1.281246


%chk=000240282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240282

0 1
P 0.774922 -1.316270 0.750534
P -1.444176 1.914593 0.339643
O 0.110776 -1.040752 -0.837935
O 2.448344 -0.895563 0.538400
O -1.079584 0.629755 1.468221
O -1.919911 3.082881 1.497548
O 0.096128 2.479701 -0.186891
O 0.469340 -2.774181 1.325583
O -2.513555 1.554600 -0.778328
C 0.289395 0.230708 1.743371
C -0.825744 -2.069044 -1.403733
C 3.385023 -1.901462 -0.041094
C -2.259292 -1.879576 -0.899441
C 3.912170 -2.877809 1.018923
C -3.227142 -2.887643 -1.564902
C 4.953246 -3.854504 0.420303
C -2.929083 4.138415 1.097810
C 0.601604 2.118145 -1.581836
C -4.679111 -2.710100 -1.070039
C 5.499923 -4.843148 1.473026
C -2.224746 5.255075 0.315980
C -3.531703 4.595057 2.427523
C -0.045187 3.057688 -2.605159
C 2.120887 2.255161 -1.470377
H 0.337049 -0.040583 2.809286
H 1.026000 1.013476 1.497413
H -0.747956 -1.903970 -2.492627
H -0.442210 -3.075887 -1.150151
H 4.198245 -1.285792 -0.464161
H 2.882469 -2.441860 -0.868507
H -2.278088 -2.021045 0.199384
H -2.587989 -0.843102 -1.100454
H 3.063161 -3.443063 1.447223
H 4.374130 -2.299451 1.842442
H -2.889660 -3.923752 -1.357162
H -3.196400 -2.759594 -2.666722
H 5.794023 -3.279798 -0.019645
H 4.490569 -4.422951 -0.412238
H -3.693056 3.641849 0.467894
H 0.319086 1.065484 -1.766896
H -4.745196 -2.868380 0.022504
H -5.363116 -3.427659 -1.559622
H -5.044140 -1.688346 -1.282793
H 5.992294 -4.304393 2.304139
H 6.240662 -5.534160 1.030792
H 4.682925 -5.450571 1.904438
H -1.399750 5.678190 0.914801
H -2.944302 6.062257 0.085289
H -1.809855 4.882787 -0.637026
H -3.979808 3.741974 2.963316
H -4.316526 5.352009 2.245947
H -2.752862 5.042255 3.069449
H -1.140046 2.919542 -2.628004
H 0.349785 2.834892 -3.613951
H 0.188948 4.110938 -2.367247
H 2.525700 1.537633 -0.736559
H 2.582212 2.044519 -2.453120
H 2.396777 3.280523 -1.167262


