%chk=000145638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145638

0 1
 P  -5.0999999E-02 -0.6080000      0.9258000    
 O   0.5761000      -1.747600     -3.9999999E-02
 N   -1.193800     -3.7000000E-03 -0.1092000    
 N    1.073000      0.5833000      0.6806000    
 C  -0.7088000       1.193200     -0.6489000    
 C   0.5428000       1.507500     -0.2272000    
 C   -2.503900     -0.5842000     -0.2702000    
 C    2.401400      0.5514000       1.241100    
 C   -3.576700      0.3303000      0.3147000    
 C    3.446600      0.3559000      0.1460000    
 C   -1.568700       1.973700      -1.592700    
 C    1.364100       2.690800     -0.6330000    
 C   -4.982600     -0.2661000      0.2087000    
 C    4.871300      0.2689000      0.6987000    
 C  -0.1362000      -2.974800     -0.1016000    
 C   -6.019500      0.6374000      0.8579000    
 C    5.881400      8.7000001E-03 -0.4082000    
 C   0.5844000      -3.916600      -1.042500    
 H   -2.591000      -1.550600      0.2397000    
 H   -2.703400     -0.7751000      -1.331600    
 H    2.502300     -0.2499000       1.985600    
 H    2.598300       1.485300       1.782200    
 H   -3.594900       1.303800     -0.1776000    
 H   -3.348000      0.5249000       1.370800    
 H    3.221400     -0.5646000     -0.4081000    
 H    3.425700       1.164700     -0.5861000    
 H   -2.215900       2.667400      -1.049400    
 H  -0.9541000       2.571800      -2.274400    
 H   -2.178300       1.325200      -2.228500    
 H    1.984800       3.064100      0.1866000    
 H    1.996800       2.451900      -1.492000    
 H   0.7210000       3.527000     -0.9281000    
 H   -5.008100      -1.247800      0.6959000    
 H   -5.241900     -0.4187000     -0.8452000    
 H    5.127300       1.202600       1.212600    
 H    4.934500     -0.5379000       1.438100    
 H   -1.142900      -2.839700     -0.5023000    
 H  -0.1997000      -3.433600      0.8930000    
 H   -6.042000       1.619300      0.3747000    
 H   -7.016000      0.1932000      0.7712000    
 H   -5.803600      0.7820000       1.921300    
 H    5.865700      0.8128000      -1.150700    
 H    6.892100     -4.9899999E-02  7.7000000E-03
 H    5.669100     -0.9358000     -0.9194000    
 H   6.2600002E-02  -4.875100      -1.113900    
 H   0.6593000      -3.479600      -2.043900    
 H    1.607900      -4.097200     -0.6973000    


%chk=000145638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145638

0 1
P -0.221126 -0.717230 0.612906
O 0.680628 -1.832533 -0.625939
N -1.407256 0.251726 -0.289515
N 0.870369 0.673134 0.477485
C -0.891221 1.472904 -0.819782
C 0.392525 1.715692 -0.372966
C -2.802652 -0.188689 -0.456434
C 2.251607 0.603709 0.991157
C -3.783536 0.460836 0.550797
C 3.298670 0.096318 -0.032890
C -1.711831 2.289690 -1.783256
C 1.247173 2.928307 -0.634599
C -5.243257 0.003809 0.331436
C 4.699383 -0.055645 0.601404
C 0.441432 -3.277827 -0.504998
C -6.223935 0.633099 1.344646
C 5.754425 -0.559050 -0.407827
C 1.783395 -4.021838 -0.443621
H -2.838409 -1.289329 -0.337426
H -3.135815 0.020444 -1.491926
H 2.250250 -0.076979 1.866052
H 2.544874 1.601786 1.372402
H -3.720576 1.563827 0.466810
H -3.458000 0.206487 1.579206
H 2.942072 -0.868275 -0.438614
H 3.355278 0.796926 -0.889466
H -2.679292 2.612300 -1.350899
H -1.163644 3.198354 -2.080144
H -1.936852 1.724457 -2.709497
H 1.476262 3.475679 0.301131
H 2.212218 2.672025 -1.111464
H 0.721621 3.629930 -1.302285
H -5.297448 -1.102115 0.403562
H -5.559609 0.263720 -0.699913
H 5.027930 0.916281 1.025568
H 4.640258 -0.763451 1.454281
H -0.143212 -3.614850 -1.385646
H -0.161374 -3.504689 0.405565
H -6.211077 1.737148 1.275545
H -7.261493 0.295225 1.167184
H -5.951449 0.359891 2.381305
H 5.857730 0.143620 -1.256175
H 6.748545 -0.669350 0.063721
H 5.463018 -1.542040 -0.822755
H 1.627482 -5.118002 -0.415509
H 2.391797 -3.779958 -1.333119
H 2.353022 -3.724873 0.455402


