%chk=000157519.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157519

0 1
 O    4.226900      0.5157000      -1.323600    
 O  -0.4171000      -3.144900     -0.7401000    
 N  -0.3676000      -1.236200      0.1561000    
 N  -2.4499999E-02  -2.508700      0.2451000    
 C   -2.338000      0.1720000     -0.2207000    
 C   -1.716100     -0.9385000      0.6243000    
 C   -3.746900      0.5156000      0.2677000    
 C   0.6016000     -0.3680000      0.8397000    
 C    1.819300     -0.1282000     -5.0500002E-02
 C   -4.386200       1.601600     -0.5973000    
 C    2.850000      0.7553000      0.6498000    
 C   -5.773300       1.969100     -9.4999999E-02
 C    4.093400      0.9802000     -0.1925000    
 C    5.178400       1.815000      0.4368000    
 H   -2.382900     -0.1450000      -1.270600    
 H   -1.719300       1.076800     -0.1863000    
 H   -1.734100     -0.6831000       1.693000    
 H   -2.369400      -1.817900      0.5217000    
 H   -4.374600     -0.3837000      0.2481000    
 H   -3.700300      0.8547000       1.309800    
 H   0.8996000     -0.7794000       1.814800    
 H   0.1637000      0.6172000       1.049200    
 H    1.508200      0.3446000     -0.9912000    
 H    2.292800      -1.081200     -0.3192000    
 H   -3.755600       2.498300     -0.5962000    
 H   -4.458100       1.256700      -1.635400    
 H    2.413200       1.734500      0.8745000    
 H    3.163300      0.2880000       1.590200    
 H   -6.212200       2.746300     -0.7284000    
 H   -6.439500       1.100600     -0.1119000    
 H   -5.731200       2.350300      0.9303000    
 H    5.532100       1.328600       1.349200    
 H    4.788600       2.809900      0.6658000    
 H    6.016800       1.915500     -0.2581000    


%chk=000157519-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157519

0 1
O 2.449848 2.683112 -0.331503
O -1.640310 -3.286830 0.036779
N -0.375483 -1.599764 0.818209
N -0.442959 -2.881543 0.297634
C -2.171172 -0.112014 -0.183856
C -1.591668 -0.796476 1.078547
C -3.452557 0.686135 0.145327
C 0.979236 -1.132081 1.157188
C 1.426294 0.108584 0.353053
C -4.079860 1.350911 -1.101481
C 2.867223 0.513791 0.715646
C -5.359172 2.150431 -0.773750
C 3.290866 1.868890 0.132486
C 4.783336 2.176154 0.147402
H -2.398951 -0.890397 -0.935381
H -1.413367 0.563584 -0.625892
H -1.336056 -0.044048 1.847176
H -2.353687 -1.485441 1.492145
H -4.199165 0.009117 0.610123
H -3.223458 1.468325 0.899801
H 1.649806 -1.988541 0.961866
H 1.024457 -0.904297 2.242852
H 0.757672 0.967072 0.546822
H 1.358535 -0.105814 -0.729563
H -3.332942 2.020938 -1.573532
H -4.313244 0.567144 -1.850192
H 2.979783 0.593264 1.820038
H 3.598182 -0.258651 0.401958
H -5.794340 2.605752 -1.682180
H -6.129262 1.497660 -0.320947
H -5.146254 2.965627 -0.056547
H 5.277025 1.628974 -0.679913
H 5.257532 1.838142 1.086694
H 4.955113 3.253993 0.002091


