%chk=000077326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077326

0 1
 P  -6.4900003E-02  0.4632000      0.6998000    
 O  -8.3400004E-02   1.265200       1.973600    
 N   -1.435700      0.4885000     -0.2442000    
 C   0.3145000      -1.261000       1.033200    
 C    1.307600      0.9581000     -0.3489000    
 C   -1.797900       1.763900     -0.8702000    
 C   -2.649600     -0.1131000      0.3163000    
 C   0.3913000      -2.123100     -0.2199000    
 C    2.669400      0.8106000      0.3168000    
 C  -0.5619000       2.429000      -1.469600    
 C   -2.458900       2.668200      0.1651000    
 C   -2.320700      -1.447000      0.9806000    
 C   -3.684800     -0.2922000     -0.7897000    
 C   0.6565000      -3.592500      0.1060000    
 C    3.806500       1.295900     -0.5817000    
 C   0.7530000      -4.432800      -1.157900    
 C    5.159100       1.119100      9.0599999E-02
 H    1.327100      -1.244600       1.455100    
 H  -0.1859000      -1.757600       1.862100    
 H    1.311600      0.3979000      -1.288800    
 H    1.360100       2.017500     -0.5508000    
 H   -2.472100       1.619400      -1.720600    
 H   -3.082600      0.4907000       1.121200    
 H  -0.4631000      -2.013800     -0.8921000    
 H    1.240900      -1.774400     -0.8202000    
 H    2.679600       1.361200       1.265200    
 H    2.862800     -0.2375000      0.5600000    
 H  -0.9407000       3.182100      -2.180600    
 H  -4.5499999E-02   3.069100     -0.7510000    
 H   2.2000000E-02   1.786400      -2.129200    
 H   -3.488600       2.382400      0.3991000    
 H   -2.530100       3.687900     -0.2345000    
 H   -1.895500       2.747100       1.098500    
 H   -3.292800      -1.898400       1.243700    
 H   -1.909100      -2.227300      0.3560000    
 H   -1.912700      -1.305000       1.980300    
 H   -4.179400      0.6398000      -1.078900    
 H   -4.491300     -0.9548000     -0.4529000    
 H   -3.250700     -0.7561000      -1.683300    
 H  -0.1491000      -3.987000      0.7358000    
 H    1.589200      -3.686900      0.6742000    
 H    3.666000       2.354800     -0.8275000    
 H    3.799000      0.7392000      -1.526000    
 H   0.9433000      -5.480000     -0.9030000    
 H  -0.1784000      -4.386900      -1.731400    
 H    1.569500      -4.085500      -1.799000    
 H    5.958400       1.474100     -0.5675000    
 H    5.210200       1.687800       1.024500    
 H    5.349900      6.5499999E-02  0.3183000    


%chk=000077326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077326

0 1
P 0.002678 0.257605 0.875432
O 0.038069 0.811354 2.398592
N -1.522511 0.475994 -0.035017
C 0.371779 -1.602130 0.802822
C 1.403911 1.034414 -0.136880
C -1.768766 1.682638 -0.905164
C -2.824416 -0.013996 0.570411
C 0.380243 -2.224946 -0.605565
C 2.743840 0.893080 0.620509
C -1.021235 1.657256 -2.259074
C -1.614942 3.032497 -0.155005
C -2.721968 -0.760541 1.920957
C -3.582563 -0.884303 -0.462508
C 0.580503 -3.759761 -0.569250
C 3.871911 1.715740 -0.046280
C 0.606709 -4.387010 -1.979552
C 5.224870 1.557062 0.680438
H 1.354384 -1.712881 1.299973
H -0.367256 -2.098634 1.453353
H 1.446691 0.557723 -1.131353
H 1.169088 2.103544 -0.272952
H -2.841025 1.593391 -1.168255
H -3.432611 0.895265 0.774700
H -0.572557 -1.986958 -1.118336
H 1.187636 -1.775262 -1.218963
H 2.604299 1.224949 1.667809
H 3.051770 -0.171460 0.660051
H -1.480455 2.391752 -2.947525
H 0.045221 1.917453 -2.169504
H -1.100606 0.655218 -2.716693
H -2.217240 3.033897 0.771012
H -1.954371 3.868874 -0.795093
H -0.568603 3.231377 0.135061
H -3.737681 -0.835065 2.350367
H -2.351986 -1.793896 1.795003
H -2.072343 -0.228530 2.637999
H -3.699622 -0.365564 -1.431097
H -4.591531 -1.141293 -0.087193
H -3.027852 -1.822779 -0.644144
H -0.233875 -4.218521 0.027619
H 1.525470 -3.996237 -0.039067
H 3.580558 2.785714 -0.058606
H 3.980253 1.407823 -1.106532
H 0.745133 -5.482607 -1.931349
H -0.338275 -4.189188 -2.519879
H 1.432766 -3.968799 -2.585241
H 6.015463 2.160296 0.197751
H 5.146975 1.881120 1.734949
H 5.556170 0.501423 0.677869


