%chk=000025315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025315

0 1
 O   0.6752000       1.300600      9.4499998E-02
 N    4.336600       1.591600      0.1406000    
 C  -0.2694000      0.3189000      0.5556000    
 C   7.3899999E-02  -1.062800      7.4000000E-03
 C   -1.668400      0.7477000      0.2668000    
 C   0.5015000      -2.053800      0.8651000    
 C    2.002000      0.8925000      0.3692000    
 C  -5.9599999E-02  -1.269400      -1.350100    
 C   -2.708200      0.3456000       1.105200    
 C   -1.936900       1.551400     -0.8413000    
 C    2.956800       1.962000     -0.1368000    
 C   0.8100000      -3.309600      0.3422000    
 C   0.6455000      -1.825000       2.334000    
 C   0.2487000      -2.525300      -1.872900    
 C   0.6836000      -3.545300      -1.026900    
 C   -4.016600      0.7468000      0.8353000    
 C   -3.245400       1.952700      -1.111000    
 C   -4.285200       1.550300     -0.2726000    
 C    5.255600       2.631300     -0.3043000    
 H  -0.1793000      0.3532000       1.646600    
 H    2.136400      0.7720000       1.450100    
 H    2.263900     -4.0899999E-02 -0.1386000    
 H  -0.3784000     -0.4873000      -2.030400    
 H    2.799700       2.107200      -1.213300    
 H    2.707700       2.915200      0.3465000    
 H   -2.514300     -0.2815000       1.971200    
 H   -1.147600       1.876100      -1.513700    
 H    1.151000      -4.115600      0.9865000    
 H   0.9750000      -2.736500       2.846500    
 H    1.395900      -1.060600       2.550000    
 H  -0.3139000      -1.549000       2.783400    
 H   0.1545000      -2.707900      -2.939400    
 H   0.9250000      -4.522700      -1.434300    
 H   -4.826300      0.4332000       1.487600    
 H   -3.455000       2.577400      -1.974300    
 H   -5.304000       1.862400     -0.4830000    
 H    4.559800      0.7169000     -0.3333000    
 H    5.183300       2.795900      -1.384300    
 H    6.283100       2.330100     -7.7600002E-02
 H    5.067600       3.576000      0.2162000    


%chk=000025315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025315

0 1
O 0.792879 1.156722 -0.190932
N 4.438501 1.918967 -0.225087
C -0.119245 0.242477 0.529305
C 0.122411 -1.216118 0.127646
C -1.547527 0.733784 0.259474
C 0.188966 -2.264423 1.091607
C 2.196116 1.006385 0.218334
C 0.276633 -1.514931 -1.249234
C -2.648340 -0.155749 0.331806
C -1.788164 2.105700 -0.003730
C 3.002436 2.069157 -0.536902
C 0.411840 -3.590344 0.635132
C 0.024367 -2.004442 2.582702
C 0.498203 -2.836731 -1.687479
C 0.566597 -3.882114 -0.737676
C -3.967570 0.318154 0.151943
C -3.106345 2.577351 -0.191863
C -4.202308 1.687175 -0.110415
C 5.296904 3.001992 -0.739291
H 0.082465 0.355908 1.618342
H 2.300579 1.154780 1.314139
H 2.560595 -0.013941 -0.032938
H 0.227183 -0.689523 -1.968255
H 2.765343 1.994392 -1.626551
H 2.677985 3.073593 -0.205541
H -2.474656 -1.222737 0.511518
H -0.933764 2.784451 -0.076573
H 0.464202 -4.402746 1.370360
H 0.052589 -2.952047 3.147104
H 0.830344 -1.358191 2.980656
H -0.935257 -1.505960 2.815439
H 0.613989 -3.051326 -2.755717
H 0.737729 -4.914852 -1.062139
H -4.808794 -0.382151 0.208686
H -3.278457 3.639248 -0.402568
H -5.224803 2.054294 -0.254975
H 4.788382 0.989809 -0.494285
H 5.236112 3.156049 -1.844838
H 6.350249 2.795741 -0.478842
H 5.015431 3.955999 -0.255961


