%chk=000003711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003711

0 1
 P    7.552500     -0.8118000      9.4999997E-03
 O    2.442500      -1.535900      0.4925000    
 O  -9.1399997E-02   3.798300      -1.106800    
 O    7.445000      -1.260100      -1.533000    
 O    8.492600      0.4945000     -2.9300001E-02
 O    7.942500      -1.873900      0.9767000    
 N   -2.569900      0.2790000     -0.7875000    
 N   0.2921000       5.058600      0.7758000    
 C   -1.367500     -0.3528000     -0.5629000    
 C   -1.318400       1.729300      0.3336000    
 C  -0.5594000      0.5408000      0.1433000    
 C   -2.549700       1.537700     -0.2495000    
 C   -3.692700     -0.3050000      -1.492400    
 C  -0.8671000       2.950700       1.033100    
 C   0.7416000      0.1383000      0.5050000    
 C  -0.9378000      -1.633800     -0.9271000    
 C   -3.711900       2.447600     -0.3397000    
 C    1.184900      -1.140200      0.1476000    
 C   -4.611800      -1.036000     -0.5515000    
 C   0.3564000      -2.011000     -0.5575000    
 C  -0.1903000       3.953100      0.1073000    
 C    3.437300     -0.5189000      0.5905000    
 C    4.793500      -1.127800      0.2646000    
 C   -5.663400     -0.3539000      4.5299999E-02
 C   -4.396300      -2.383000     -0.2931000    
 C    5.919200     -0.1075000      0.3256000    
 C   -6.515500      -1.031400      0.9173000    
 C   -5.248600      -3.060400      0.5788000    
 C   -6.308200      -2.384600       1.184000    
 H   -4.226500      0.4655000      -2.055700    
 H   -3.304600     -0.9854000      -2.260100    
 H  -0.1599000       2.692000       1.830800    
 H   -1.712100       3.453200       1.519400    
 H    1.356300      0.8259000       1.076400    
 H   -1.557700      -2.316600      -1.495300    
 H   -4.255000       2.378400      -1.284200    
 H   -3.384200       3.490900     -0.2650000    
 H   -4.400500       2.274800      0.4918000    
 H   0.7177000      -2.999200     -0.8328000    
 H    3.254700      0.2946000     -0.1237000    
 H    3.440800     -0.1176000       1.610500    
 H    4.761600      -1.589300     -0.7299000    
 H    5.000700      -1.952400      0.9575000    
 H   -5.863300      0.6888000     -0.1745000    
 H   -3.591400      -2.933100     -0.7673000    
 H    5.944300      0.3602000       1.316200    
 H    5.739000      0.6890000     -0.4052000    
 H   -7.345500     -0.5074000       1.382300    
 H   -5.090400      -4.115500      0.7828000    
 H   0.7638000       5.805600      0.2771000    
 H   0.1967000       5.168600       1.780300    
 H   -6.973500      -2.912900       1.860600    
 H    8.209700      -1.705900      -1.955700    
 H    9.457900      0.3849000     -0.1644000    


%chk=000003711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003711

0 1
P 7.743646 -1.074940 0.493365
O 2.657809 -1.139211 -0.698525
O 0.461685 5.009102 1.354173
O 8.035647 -0.994235 -1.217776
O 8.742822 0.157435 1.196031
O 7.971185 -2.530311 1.106063
N -2.714371 0.432276 -0.753337
N 0.018776 4.028779 -0.706264
C -1.418225 -0.108646 -0.842990
C -1.346408 1.815602 0.464280
C -0.540082 0.742759 -0.092296
C -2.669977 1.594645 0.046160
C -3.922813 -0.152916 -1.344388
C -0.844555 2.926620 1.348114
C 0.847270 0.437536 -0.014680
C -0.943855 -1.260776 -1.510642
C -3.913243 2.389438 0.324658
C 1.312469 -0.711154 -0.686677
C -4.796651 -0.943920 -0.365387
C 0.427701 -1.552852 -1.427079
C -0.061322 4.078938 0.671129
C 3.632607 -0.331215 0.042753
C 4.989269 -1.022117 -0.136008
C -6.195049 -1.019811 -0.580789
C -4.230180 -1.631752 0.735859
C 6.097010 -0.233290 0.590866
C -7.015982 -1.779210 0.283142
C -5.050612 -2.388310 1.602730
C -6.444808 -2.467199 1.378535
H -4.526925 0.648990 -1.808547
H -3.597984 -0.812652 -2.171001
H -0.168638 2.533104 2.131562
H -1.672974 3.411466 1.896477
H 1.520449 1.086383 0.553028
H -1.609498 -1.923645 -2.073535
H -4.348201 2.819447 -0.599202
H -3.686668 3.230200 0.999564
H -4.697429 1.771982 0.801951
H 0.849952 -2.432085 -1.922281
H 3.654895 0.703182 -0.362298
H 3.347302 -0.283112 1.115621
H 5.219462 -1.094720 -1.213438
H 4.921546 -2.052800 0.258364
H -6.645535 -0.481513 -1.425029
H -3.151556 -1.569456 0.918114
H 5.880895 -0.113306 1.667589
H 6.241458 0.771490 0.156878
H -8.096380 -1.828200 0.106857
H -4.602021 -2.915403 2.452220
H 0.523096 4.766161 -1.196941
H -0.386152 3.247421 -1.222148
H -7.079349 -3.053610 2.052206
H 8.651164 -1.693401 -1.555547
H 9.608129 -0.170190 1.550618


