%chk=000077761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077761

0 1
 P  -4.3699998E-02  4.4199999E-02  0.5872000    
 O  -5.3399999E-02 -8.6000003E-03   2.076800    
 O   -4.311600     -0.2488000      -1.054500    
 O    1.978600       3.880400     -0.8924000    
 O    2.393900      -3.548100     -0.9867000    
 N   -4.943900       1.586400      0.1772000    
 N    3.959400       3.251300      8.9900002E-02
 N    1.049000      -5.006500      0.1746000    
 C   -1.642500     -0.1649000     -0.1511000    
 C   0.6204000       1.549000     -7.5499997E-02
 C   0.9741000      -1.268100     -0.1301000    
 C   -2.656600      0.8596000      0.3312000    
 C    2.081400       1.761900      0.2860000    
 C   0.5561000      -2.657400      0.3235000    
 C   -4.033800      0.6514000     -0.2677000    
 C    2.634300       3.070200     -0.2444000    
 C    1.438300      -3.752000     -0.2440000    
 H   -2.017600      -1.167800      8.0100000E-02
 H   -1.552600     -0.1133000      -1.242400    
 H   2.6900001E-02   2.393800      0.2918000    
 H   0.5109000       1.545800      -1.166400    
 H    2.016400      -1.104600      0.1615000    
 H   0.9311000      -1.194800      -1.222600    
 H   -2.742700      0.8110000       1.422800    
 H   -2.320000       1.869900      7.4299999E-02
 H    2.201600       1.747700       1.375200    
 H    2.697900      0.9562000     -0.1245000    
 H   0.5898000      -2.716600       1.417400    
 H  -0.4753000      -2.860100      1.6799999E-02
 H   -4.691600       2.321800      0.8299000    
 H   -5.907600       1.568400     -0.1396000    
 H    4.481700       2.567800      0.6288000    
 H    4.460700       4.085300     -0.1976000    
 H   0.2556000      -5.151200      0.7908000    
 H    1.550500      -5.835700     -0.1259000    


%chk=000077761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077761

0 1
P 0.013481 0.037714 -0.022459
O 0.010974 0.045372 1.608675
O -4.441746 -0.576385 -0.343873
O 1.922015 4.142174 -0.396257
O 2.619197 -3.667130 -0.320773
N -5.024760 1.422103 0.675090
N 3.931197 3.517225 0.576103
N 1.034423 -5.104912 0.570365
C -1.733116 0.243069 -0.718537
C 1.075942 1.435003 -0.721370
C 0.703301 -1.583457 -0.704362
C -2.630721 0.978539 0.292725
C 2.215966 1.777223 0.254342
C 0.406338 -2.740673 0.265651
C -4.095793 0.533002 0.161867
C 2.661341 3.239940 0.098556
C 1.450417 -3.860066 0.129273
H -2.158898 -0.762210 -0.895891
H -1.675633 0.764882 -1.690208
H 0.440428 2.331043 -0.847677
H 1.449757 1.140783 -1.718444
H 1.800004 -1.482587 -0.803973
H 0.285202 -1.760803 -1.711420
H -2.280215 0.727644 1.318376
H -2.547396 2.076397 0.190133
H 1.842740 1.634235 1.292027
H 3.077043 1.094207 0.130311
H 0.451555 -2.345332 1.304025
H -0.614610 -3.141081 0.122411
H -4.749799 2.311375 1.088612
H -6.010077 1.159365 0.666012
H 4.525879 2.795847 0.980337
H 4.263467 4.481023 0.550093
H 0.096957 -5.263204 0.935752
H 1.700842 -5.876723 0.554910


