%chk=000056631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056631

0 1
 O   -2.399600      -1.453300     -0.2145000    
 O    5.335300      0.7659000      0.1150000    
 N    1.716500      4.1400000E-02  9.3699999E-02
 C  -0.5972000     -0.3866000      0.6080000    
 C   -1.577300      0.5898000      0.2888000    
 C   -1.144900      -1.606300      0.2840000    
 C   0.7439000     -0.1450000       1.174200    
 C   -2.665700     -0.1168000     -0.2127000    
 C  -0.6503000      -2.988400      0.3705000    
 C   -1.665100       1.990700      0.3686000    
 C    3.045700      0.2705000      0.6354000    
 C   -3.849700      0.4765000     -0.6468000    
 C   8.2199998E-02  -3.442900     -0.9002000    
 C   -2.843700       2.616100     -6.0899999E-02
 C    4.062200      0.5131000     -0.4653000    
 C   -3.915000       1.870300     -0.5592000    
 C    6.322700       1.005100     -0.8785000    
 H   0.7197000      0.7414000       1.820300    
 H    1.040600     -0.9907000       1.806100    
 H   2.5699999E-02  -3.095100       1.226400    
 H   -1.488700      -3.670800      0.5555000    
 H    1.442400      0.8414000     -0.4771000    
 H    3.371200     -0.5905000       1.232700    
 H    3.046200       1.134400       1.312600    
 H  -0.8419000       2.585800      0.7521000    
 H   -4.676300     -0.1086000      -1.032000    
 H  -0.5766000      -3.385500      -1.773100    
 H   0.4202000      -4.478100     -0.7912000    
 H   0.9575000      -2.814600      -1.095200    
 H    3.764300       1.377800      -1.071000    
 H    4.127500     -0.3654000      -1.119000    
 H   -2.924200       3.698700     -4.9999999E-03
 H   -4.816700       2.382900     -0.8851000    
 H    7.276600       1.191200     -0.3777000    
 H    6.063300       1.886200      -1.473300    
 H    6.434000      0.1310000      -1.527500    


%chk=000056631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056631

0 1
O -2.255235 -1.452692 -0.343425
O 5.506367 0.714523 0.166531
N 1.829085 0.119885 0.154894
C -0.615086 -0.069996 0.536338
C -1.835841 0.712914 0.370362
C -0.900172 -1.357685 0.104951
C 0.704984 0.425977 1.078100
C -2.815243 -0.170531 -0.170482
C -0.096304 -2.616127 0.013803
C -2.203798 2.058935 0.623457
C 3.140922 0.630282 0.612331
C -4.130789 0.204266 -0.472583
C 0.094311 -3.115285 -1.443593
C -3.523176 2.463667 0.325442
C 4.253822 0.124503 -0.311903
C -4.474777 1.551840 -0.214025
C 6.659341 0.275333 -0.614305
H 0.615343 1.519331 1.293800
H 0.936138 -0.058768 2.048330
H 0.889985 -2.410518 0.464343
H -0.590317 -3.410543 0.607957
H 1.606864 0.433683 -0.801226
H 3.327157 0.250839 1.634528
H 3.196419 1.744001 0.663832
H -1.486243 2.772530 1.043251
H -4.849625 -0.509198 -0.885396
H -0.880051 -3.292418 -1.930759
H 0.665743 -4.060918 -1.453743
H 0.650382 -2.369055 -2.038420
H 4.061815 0.435176 -1.366303
H 4.300295 -0.985606 -0.282428
H -3.825780 3.499675 0.514052
H -5.490779 1.898586 -0.431394
H 7.539014 0.771129 -0.174545
H 6.566624 0.570558 -1.681973
H 6.793405 -0.826693 -0.561202


