%chk=000001789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001789

0 1
 P    6.436000       1.255500      0.4225000    
 O   -1.675700       1.889400       1.874900    
 O   -4.209600       1.692000     -0.7702000    
 O   -4.103200       4.095600      0.7434000    
 O   -3.130800       5.714000      -1.320000    
 O    7.271800       2.361900     -0.3953000    
 O    5.802600       2.077300       1.653400    
 O   0.6313000      -4.171800      -1.509300    
 O    7.165800      6.3999998E-03  0.7722000    
 O   -3.138200      -4.913500       1.011000    
 N   -1.779800     -0.5291000      0.3930000    
 N   -2.414100      -2.763500      0.6666000    
 N   -1.250100      -4.559900     -0.2516000    
 C   -2.891200       1.466600       1.255600    
 C   -3.008000       2.124600     -0.1337000    
 C    1.752800      -1.133400     -0.3549000    
 C   0.5496000      -1.398300      -1.255100    
 C    2.779100     -0.1836000     -0.9820000    
 C   -2.897000     -6.5099999E-02   1.186600    
 C  -0.4915000      -2.269900     -0.6079000    
 C   -3.014800       3.664000     -7.5800002E-02
 C    3.949100      7.1000002E-02 -2.9400000E-02
 C   -1.536900      -1.837200      0.1347000    
 C    5.002600      0.9837000     -0.6431000    
 C   -3.168200       4.296900      -1.458100    
 C  -0.3044000      -3.740500     -0.8392000    
 C   -2.327000      -4.132900      0.5117000    
 H   -3.723400       1.778800       1.896500    
 H   -2.166200       1.835600     -0.7742000    
 H    1.409800     -0.7059000      0.5963000    
 H    2.244200      -2.084000     -0.1113000    
 H   0.1033000     -0.4407000      -1.551400    
 H   0.8862000      -1.838400      -2.202300    
 H    2.295400      0.7682000      -1.232100    
 H    3.150900     -0.6157000      -1.918800    
 H   -3.850100     -0.4157000      0.7753000    
 H   -2.796500     -0.4542000       2.207600    
 H   -2.095900       4.028600      0.3976000    
 H    4.417600     -0.8816000      0.2450000    
 H    3.581500      0.5166000      0.9024000    
 H   -1.109200      0.1466000      4.7800001E-02
 H    4.557400       1.956600     -0.8802000    
 H    5.364500      0.5541000      -1.584000    
 H   -2.368000       3.988200      -2.137500    
 H   -4.134100       4.048800      -1.908400    
 H   -3.190100      -2.422200       1.222700    
 H  -0.9396000       1.696800       1.270900    
 H   -4.076100      0.7741000      -1.060500    
 H   -1.148400      -5.561200     -0.3910000    
 H   -4.087500       5.067800      0.7598000    
 H   -2.263300       5.948900     -0.9487000    
 H    8.130100       2.673700     -3.7300002E-02
 H    6.379500       2.334400       2.403900    


%chk=000001789-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001789

0 1
P 7.150205 -0.123339 1.103841
O -0.763364 3.777154 -0.229128
O -2.912729 2.616307 -1.631792
O -4.322538 1.128484 0.582603
O -6.762098 2.028154 0.039421
O 8.527128 0.368417 0.164466
O 6.579971 1.321134 1.888549
O -0.112558 -3.830322 -1.486917
O 7.458857 -1.312274 2.122938
O -4.202570 -2.549119 0.400503
N -1.064553 0.846545 -0.417220
N -2.577341 -0.918125 -0.005893
N -2.129595 -3.158702 -0.527435
C -1.807739 3.059164 0.526474
C -3.130993 3.155249 -0.279157
C 2.010900 -1.002702 -0.313852
C 0.974741 -1.123784 -1.466391
C 3.437801 -0.718881 -0.832298
C -1.318697 1.629280 0.836879
C -0.421636 -1.472435 -0.991670
C -4.395504 2.588331 0.397830
C 4.462917 -0.564768 0.314215
C -1.315442 -0.545674 -0.467017
C 5.878833 -0.290408 -0.232691
C -5.654247 2.875772 -0.453778
C -0.828073 -2.877778 -1.046634
C -3.050162 -2.237882 -0.011526
H -1.916138 3.601052 1.484426
H -3.324328 4.235006 -0.440672
H 1.705185 -0.201626 0.391641
H 2.004726 -1.948215 0.261799
H 0.982591 -0.192995 -2.073399
H 1.298654 -1.936661 -2.142047
H 3.432909 0.204067 -1.449716
H 3.748726 -1.545450 -1.503340
H -2.059438 1.100100 1.455939
H -0.380164 1.711719 1.419427
H -4.497180 3.062445 1.400394
H 4.469909 -1.484844 0.931062
H 4.159798 0.267294 0.977877
H -0.173627 1.102116 -0.855378
H 5.918041 0.651059 -0.808033
H 6.227657 -1.107668 -0.888491
H -5.916729 3.950692 -0.435149
H -5.475857 2.554028 -1.491205
H -3.266025 -0.172188 0.248923
H -1.004070 3.695833 -1.192993
H -2.434347 1.737280 -1.511629
H -2.428276 -4.137907 -0.550384
H -5.271408 0.807246 0.572731
H -7.236353 2.475870 0.784092
H 9.398411 0.177677 0.596641
H 6.898020 1.424672 2.821261


