%chk=000004799.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004799

0 1
 P    3.605400      -1.043800       1.071600    
 P    3.117100       1.857900       1.131800    
 P    1.408600       2.947600      -1.335500    
 O   0.4155000     -0.9649000     -0.5436000    
 O   0.3320000      -4.298500      -1.866100    
 O   -1.753600      -3.651800      0.3423000    
 O    2.775900      -2.185700      0.2802000    
 O    2.793000      0.3196000      0.7703000    
 O    4.965700     -0.8681000      0.2137000    
 O    3.823300      -1.323700       2.530200    
 O    2.861600       1.936000       2.725100    
 O    4.453800       2.359900      0.6749000    
 O    1.343400       1.427500      -1.879300    
 O    2.827800       3.487000      -1.887500    
 O   0.2227000       3.802200      -1.668300    
 N   -1.883300     -0.4700000     -0.2840000    
 N   -3.037300       1.091000      -1.382400    
 N   -3.271400     -0.6954000       1.696900    
 N   -5.198000      0.7999000       1.605400    
 N   -5.596900       2.269900     -0.2405000    
 C   0.3221000      -3.304300     -0.8595000    
 C   -1.085800      -2.819700     -0.5898000    
 C    1.003900      -2.025100      -1.316200    
 C  -0.8293000      -1.440500      4.1000000E-03
 C    2.507000      -2.033800      -1.102700    
 C   -2.959000     -0.1688000      0.5034000    
 C   -1.975000      0.3133000      -1.404700    
 C   -3.661400      0.8000000     -0.1954000    
 C   -4.821400       1.286900      0.3985000    
 C   -4.411200     -0.1471000       2.171300    
 C    1.704400       2.742500      0.4359000    
 H   0.7694000      -3.725800      4.8099998E-02
 H   -1.684100      -2.779600      -1.508100    
 H   0.7952000      -1.830200      -2.375600    
 H  -0.7154000      -1.474700       1.094300    
 H    2.940800      -1.098500      -1.471600    
 H    2.976100      -2.863200      -1.640700    
 H  -0.1982000      -5.047400      -1.544500    
 H   -1.808900      -4.541100     -4.6900000E-02
 H   -1.252100      0.2708000      -2.207700    
 H   0.8004000       2.283400      0.8520000    
 H    1.755000       3.756900      0.8477000    
 H   -4.742700     -0.5142000       3.136800    
 H    5.689300      -1.519300      0.3336000    
 H   -5.317800       2.635200      -1.140900    
 H   -6.435600       2.607900      0.2115000    
 H    3.523100       1.540900       3.332000    
 H    1.155400       1.268900      -2.828800    
 H    2.914200       3.709500      -2.838900    


%chk=000004799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004799

0 1
P 4.150861 -1.525267 1.185205
P 3.681157 1.553342 0.700578
P 1.795265 2.736529 -1.501991
O 0.290479 -0.634759 -0.491540
O 0.184306 -4.156645 -1.419717
O -1.858165 -3.268890 0.888730
O 2.705433 -2.077082 0.450291
O 3.662335 0.157956 1.688547
O 5.271613 -1.230471 -0.052444
O 4.594536 -2.355613 2.437924
O 4.168861 2.815703 1.722155
O 4.616996 1.243768 -0.598422
O 2.841350 1.820724 -2.498992
O 2.600971 4.235504 -1.203973
O 0.308726 2.810872 -2.046528
N -2.047837 -0.127288 -0.121423
N -3.282639 1.674523 -0.825861
N -3.876272 -1.466925 0.928108
N -6.047739 -0.339361 0.781542
N -6.331620 1.762130 -0.259345
C 0.171398 -3.055072 -0.466711
C -1.229076 -2.505837 -0.156537
C 0.879607 -1.859635 -1.132841
C -0.928274 -1.027435 0.233579
C 2.392768 -1.848706 -0.989397
C -3.366747 -0.375218 0.272103
C -2.052901 1.124097 -0.780203
C -4.109751 0.749542 -0.166680
C -5.507968 0.739279 0.113319
C -5.224661 -1.362535 1.143511
C 1.956658 2.003811 0.226607
H 0.664461 -3.329708 0.485579
H -1.825785 -2.502862 -1.096403
H 0.633373 -1.848107 -2.213199
H -0.737084 -0.956422 1.322979
H 2.817302 -0.895843 -1.356580
H 2.817534 -2.686466 -1.569337
H -0.233220 -4.944438 -0.989174
H -2.754656 -2.801979 1.072637
H -1.160780 1.566261 -1.227437
H 1.363004 1.066480 0.208224
H 1.546176 2.717739 0.956588
H -5.698014 -2.199586 1.663986
H 5.254811 -0.266230 -0.425933
H -5.949139 2.562155 -0.760140
H -7.324025 1.705720 -0.038840
H 5.071450 2.743550 2.127088
H 3.734434 1.625241 -2.043656
H 2.534189 4.912955 -1.923576


