%chk=000078181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078181

0 1
 P  -0.1183000      1.6799999E-02  -1.022100    
 O  -0.1979000     -2.6699999E-02  -2.530500    
 N   0.6587000      -1.285300     -0.3582000    
 N   -1.602300      5.5900000E-02 -0.2754000    
 N   0.6907000       1.343700     -0.4335000    
 C   0.8901000      -1.297300       1.083500    
 C    1.783100      -1.857900      -1.110000    
 C   -2.509200       1.135500     -0.6881000    
 C   -2.318000      -1.224000     -0.1845000    
 C    2.119900       1.432100     -0.7625000    
 C   0.4563000       1.674000      0.9787000    
 C    1.062200      -2.725000       1.608100    
 C    2.703700      -2.774500     -0.2982000    
 C   -3.706900       1.277900      0.2488000    
 C   -3.510800      -1.156900      0.7670000    
 C    2.705000       2.807400     -0.4479000    
 C   0.9873000       3.057800       1.347300    
 C    1.907300      -3.610500      0.6912000    
 C   -4.465900     -3.5599999E-02  0.3807000    
 C    2.465100       3.192600       1.005600    
 H   4.6900000E-02 -0.8748000       1.638000    
 H    1.801000     -0.7463000       1.337800    
 H    2.398100      -1.087000      -1.581600    
 H    1.353600      -2.442400      -1.933000    
 H   -2.857300      0.9540000      -1.712900    
 H   -1.977400       2.093000     -0.7073000    
 H   -1.668800      -2.024500      0.1795000    
 H   -2.653500      -1.528700      -1.184000    
 H    2.259000       1.245600      -1.833400    
 H    2.699100      0.6798000     -0.2177000    
 H   0.9494000       1.000000       1.672900    
 H  -0.6055000       1.677100       1.234500    
 H   8.1000000E-02  -3.196700       1.744800    
 H    1.523000      -2.681900       2.602700    
 H    3.440900      -2.170600      0.2459000    
 H    3.266200      -3.427300     -0.9750000    
 H   -4.379900       2.057100     -0.1264000    
 H   -3.361700       1.602500       1.238600    
 H   -3.152900     -0.9965000       1.792000    
 H   -4.044400      -2.114200      0.7607000    
 H    2.248200       3.558500      -1.104800    
 H    3.780300       2.810500     -0.6592000    
 H   0.8378000       3.242700       2.417300    
 H   0.4156000       3.824400      0.8088000    
 H    2.576100      -4.240700       1.287800    
 H    1.247400      -4.291000      0.1384000    
 H   -5.258100      6.0300000E-02   1.131200    
 H   -4.950900     -0.2776000     -0.5728000    
 H    3.055800       2.541300       1.661300    
 H    2.800800       4.220100       1.183500    


%chk=000078181-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078181

0 1
P 0.430168 -0.062729 -0.903178
O 0.797145 -0.177226 -2.462215
N 1.055115 -1.463001 -0.053536
N -1.238791 -0.046675 -0.353378
N 1.001875 1.483581 -0.276511
C 0.820158 -1.753131 1.374909
C 2.182171 -2.203497 -0.683130
C -2.058694 1.182008 -0.516115
C -2.045649 -1.286447 -0.502407
C 2.074418 2.179509 -1.028159
C 0.948641 1.806463 1.166181
C 0.394867 -3.242931 1.571006
C 2.322389 -3.610440 -0.038137
C -3.154050 1.219443 0.572117
C -3.141673 -1.327389 0.584474
C 1.917903 3.708098 -0.879093
C 0.789023 3.331327 1.368170
C 0.944082 -4.132452 0.420982
C -4.024582 -0.058613 0.520191
C 1.892853 4.110340 0.614676
H 0.033466 -1.077556 1.752786
H 1.742373 -1.546153 1.962902
H 3.142514 -1.649545 -0.581431
H 1.964180 -2.282949 -1.762556
H -2.538885 1.192467 -1.522051
H -1.395258 2.060206 -0.453399
H -1.375319 -2.158707 -0.429045
H -2.523324 -1.313073 -1.508953
H 2.009270 1.864849 -2.083785
H 3.078504 1.880545 -0.642551
H 1.879734 1.468926 1.681794
H 0.096947 1.269510 1.621112
H -0.707661 -3.326302 1.614954
H 0.783821 -3.598853 2.545574
H 3.003098 -3.568683 0.835227
H 2.786425 -4.296248 -0.770945
H -3.781343 2.121173 0.430382
H -2.669699 1.301922 1.565400
H -2.658247 -1.396467 1.579339
H -3.759541 -2.236607 0.449199
H 0.975367 4.021658 -1.368699
H 2.751921 4.213565 -1.403856
H 0.818647 3.561929 2.451246
H -0.204580 3.641477 0.988351
H 1.009807 -5.186384 0.750686
H 0.248570 -4.105757 -0.439929
H -4.763324 -0.058428 1.344030
H -4.600394 -0.066089 -0.428665
H 2.878762 3.879595 1.070409
H 1.736698 5.200446 0.723229


