%chk=000044605.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044605

0 1
 O   0.5204000       1.058900      0.4531000    
 O    1.398500     -0.2369000      -1.214000    
 N   -3.636900      0.3076000      1.3600000E-02
 N    2.716800      0.5984000      0.5309000    
 C   -4.969800      0.1948000     -0.6225000    
 C   -5.414300      -1.281000     -0.6752000    
 C   -3.644600     -0.2656000       1.371100    
 C   -5.405500      -1.927400      0.7040000    
 C   -4.048100      -1.738200       1.362800    
 C   -3.161500       1.692700      7.9599999E-02
 C   -4.992200      0.7518000      -2.053100    
 C   -1.762800       1.744000      0.6860000    
 C  -0.7613000      0.9615000     -0.1525000    
 C    1.549100      0.4040000     -0.1810000    
 C    4.008200      0.1048000      0.2365000    
 C    5.062300      0.4132000       1.081900    
 C    4.195300     -0.6786000     -0.8915000    
 C    6.336600     -7.4199997E-02  0.7916000    
 C    5.469700      -1.166000      -1.181500    
 C    6.540300     -0.8637000     -0.3399000    
 H   -5.707100      0.7553000     -3.0700000E-02
 H   -4.751500      -1.847200      -1.343300    
 H   -6.424900      -1.354000      -1.095500    
 H   -2.653900     -0.2639000       1.831300    
 H   -4.317600      0.2988000       2.030300    
 H   -6.185500      -1.474000       1.327900    
 H   -5.638400      -2.994600      0.6209000    
 H   -3.292800      -2.325800      0.8253000    
 H   -4.079900      -2.120900       2.389300    
 H   -3.842200       2.319400      0.6696000    
 H   -3.097000       2.134200     -0.9205000    
 H   -4.895500       1.841700      -2.067500    
 H   -5.942600      0.5163000      -2.545500    
 H   -4.187300      0.3240000      -2.661100    
 H   -1.714500       1.464900       1.743000    
 H   -1.439900       2.794900      0.6919000    
 H  -0.7158000       1.374800      -1.167200    
 H   -1.038500     -9.6699998E-02 -0.2103000    
 H    2.640700       1.166500       1.371100    
 H    4.914600       1.027200       1.965900    
 H    3.417400     -0.9545000      -1.588500    
 H    7.170300      0.1610000       1.446800    
 H    5.629900      -1.781100      -2.062400    
 H    7.532400      -1.243300     -0.5658000    


%chk=000044605-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044605

0 1
O 0.573312 1.023254 0.477405
O 1.410058 -0.348033 -1.248229
N -3.727886 0.306419 0.167378
N 2.783378 0.570750 0.458338
C -4.977145 0.198282 -0.658306
C -5.412961 -1.287275 -0.742559
C -3.932110 -0.258309 1.530548
C -5.609645 -1.929347 0.645890
C -4.330463 -1.744793 1.487583
C -3.177721 1.687855 0.240771
C -4.786607 0.756038 -2.085478
C -1.720633 1.741217 0.758437
C -0.797625 0.861445 -0.085153
C 1.591251 0.338422 -0.211936
C 4.080437 0.094768 0.124450
C 5.153033 0.470115 0.978279
C 4.334924 -0.723833 -1.008149
C 6.464861 0.034177 0.703903
C 5.655079 -1.150914 -1.267561
C 6.726335 -0.780461 -0.422573
H -5.807746 0.769540 -0.158893
H -4.633049 -1.841846 -1.301732
H -6.349910 -1.346468 -1.329730
H -2.993186 -0.146861 2.100804
H -4.722453 0.318906 2.082461
H -6.464145 -1.444124 1.162110
H -5.861750 -3.001927 0.543113
H -3.501465 -2.325241 1.038226
H -4.479094 -2.114937 2.520425
H -3.812506 2.351527 0.883920
H -3.190391 2.118552 -0.774561
H -4.739949 1.858249 -2.122146
H -5.638992 0.446965 -2.717294
H -3.861023 0.347669 -2.531846
H -1.654060 1.433437 1.817900
H -1.372666 2.790845 0.712568
H -0.786652 1.169783 -1.147080
H -1.087896 -0.201404 -0.039823
H 2.698620 1.160542 1.288997
H 4.958591 1.101927 1.854651
H 3.508901 -1.012027 -1.661536
H 7.281710 0.331510 1.370924
H 5.844396 -1.781919 -2.143384
H 7.745443 -1.119374 -0.636208


