%chk=000134196.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134196

0 1
 O   -5.988200     -0.4087000     -0.1033000    
 O   -4.789500       1.527300      0.1097000    
 N   0.8234000      -2.037500     -0.2614000    
 N    1.651800      0.6455000     -5.2499998E-02
 N   -2.008500       1.034200      5.8300000E-02
 N   -3.744900     -0.5589000     -0.1178000    
 N  -0.2599000       2.625100      0.2050000    
 C    2.201100      -1.774200      0.1242000    
 C    2.557300     -0.2887000     -2.4200000E-02
 C  -0.1197000      -1.032500     -0.1541000    
 C   0.2973000      0.2926000     -2.5200000E-02
 C    2.419800      -2.226100       1.565800    
 C    3.973000      6.7100003E-02 -9.3300000E-02
 C   -1.486400      -1.310700     -0.1975000    
 C  -0.6792000       1.276200      7.7500001E-02
 C   -2.378500     -0.2561000     -8.2800001E-02
 C    4.884800     -0.8310000     -0.6387000    
 C    4.398500       1.301500      0.3872000    
 C    6.236200     -0.4915000     -0.7043000    
 C    5.749800       1.641200      0.3215000    
 C    6.668600      0.7446000     -0.2242000    
 C   -4.825200      0.3102000     -2.3800001E-02
 C   -7.201800      0.3476000     -2.0900000E-02
 C   -8.379800     -0.5974000     -0.1253000    
 H    2.807200      -2.397900     -0.5326000    
 H   0.5105000      -2.998600     -0.3354000    
 H    3.468500      -2.118700       1.861500    
 H    1.818300      -1.634600       2.265800    
 H    2.138500      -3.277200       1.693200    
 H   -1.834200      -2.334000     -0.3095000    
 H    4.603700      -1.789800      -1.056900    
 H    3.702900       2.013300      0.8235000    
 H    6.951300      -1.185800      -1.135900    
 H    6.087100       2.603000      0.6966000    
 H   -3.982100      -1.542300     -0.2257000    
 H   0.6402000       2.808400      0.6312000    
 H  -0.9847000       3.327200      0.2868000    
 H    7.720500       1.009700     -0.2766000    
 H   -7.236600      0.8781000      0.9372000    
 H   -7.235700       1.073300     -0.8411000    
 H   -9.325600     -5.1500000E-02 -6.5899998E-02
 H   -8.348700      -1.149200      -1.070600    
 H   -8.349600      -1.341000      0.6780000    


%chk=000134196-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134196

0 1
O -6.028599 -0.368829 -0.169336
O -4.891997 1.586616 0.498201
N 0.844479 -1.998713 -0.432002
N 1.688966 0.600584 0.150154
N -1.996426 1.044461 0.350031
N -3.785355 -0.447256 -0.130613
N -0.245885 2.535372 0.783494
C 2.217270 -1.838264 0.104136
C 2.609251 -0.346725 0.019172
C -0.130924 -1.049622 -0.167477
C 0.334346 0.257323 0.188526
C 2.330222 -2.345281 1.571198
C 4.032352 0.035462 -0.126033
C -1.521226 -1.284792 -0.289001
C -0.651029 1.269985 0.439617
C -2.397446 -0.198481 -0.014169
C 5.078992 -0.931342 -0.172913
C 4.389816 1.413738 -0.223236
C 6.426962 -0.535072 -0.310303
C 5.733508 1.806608 -0.357754
C 6.763822 0.833936 -0.402992
C -4.865086 0.402102 0.113392
C -7.315118 0.349386 0.030947
C -8.427570 -0.630924 -0.329453
H 2.886465 -2.437918 -0.538717
H 0.559758 -2.928195 -0.741440
H 3.357900 -2.217026 1.955086
H 1.645543 -1.775427 2.223962
H 2.063781 -3.416905 1.636844
H -1.907526 -2.270899 -0.569541
H 4.854500 -2.000692 -0.096442
H 3.584864 2.153888 -0.195920
H 7.214927 -1.295967 -0.343504
H 5.983697 2.870955 -0.433228
H -4.058858 -1.384211 -0.433131
H 0.752238 2.734780 0.812789
H -0.950624 3.255229 0.922557
H 7.810247 1.140101 -0.510707
H -7.373436 0.682822 1.083356
H -7.321970 1.248040 -0.612809
H -9.411506 -0.144668 -0.198360
H -8.339416 -0.958496 -1.379640
H -8.392407 -1.523481 0.318759


