%chk=000110368.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110368

0 1
 O   -1.096000       1.010400      0.5980000    
 O  -0.6735000       1.148600      -1.660700    
 N   0.6927000      -1.726200     -0.3599000    
 C   -3.238800     -1.9600000E-02  0.1559000    
 C   -2.472000       1.287800      0.3734000    
 C   -3.144800     -0.9315000       1.381000    
 C   -4.700400      0.2694000     -0.1796000    
 C    1.545400     -0.6348000     -8.0200002E-02
 C    1.101700      0.6714000     -0.1421000    
 C  -0.3055000      0.9697000     -0.5101000    
 C    2.873100     -0.8830000      0.2684000    
 C    1.933900       1.740300      0.1315000    
 C   0.4392000      -2.733600      0.6490000    
 C   5.2299999E-02  -1.841200      -1.653600    
 C    3.731000      0.1804000      0.5488000    
 C    3.261600       1.492000      0.4802000    
 H   -2.797100     -0.5573000     -0.6894000    
 H   -2.607500       1.978000     -0.4683000    
 H   -2.847900       1.806500       1.262900    
 H   -3.689000      -1.866500       1.210100    
 H   -3.570900     -0.4498000       2.267500    
 H   -2.105400      -1.190900       1.603700    
 H   -5.248900     -0.6605000     -0.3632000    
 H   -4.777500      0.8859000      -1.081400    
 H   -5.198900      0.8008000      0.6383000    
 H    3.257500      -1.898300      0.3207000    
 H    1.575200       2.764100      7.9999998E-02
 H  -0.4624000      -3.309700      0.4134000    
 H   0.2875000      -2.276300       1.632900    
 H    1.277800      -3.434400      0.7140000    
 H   0.1043000      -2.877700      -2.005900    
 H   0.5413000      -1.224300      -2.415700    
 H   -1.003500      -1.568100      -1.595000    
 H    4.765100     -1.2700000E-02  0.8191000    
 H    3.929800       2.320000      0.6981000    


%chk=000110368-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110368

0 1
O -1.217169 0.334310 -0.108636
O -0.413292 2.301606 -1.052336
N 0.809372 -1.781554 -0.448510
C -3.577403 -0.158770 0.273694
C -2.595936 0.851884 -0.337212
C -3.369267 -0.296469 1.798806
C -5.025269 0.271452 -0.064382
C 1.562028 -0.701290 0.025378
C 1.177000 0.678481 -0.157548
C -0.176906 1.180612 -0.525891
C 2.812231 -0.953376 0.682413
C 2.104533 1.711367 0.163538
C 1.053091 -3.138817 0.057941
C -0.009663 -1.709342 -1.667124
C 3.677850 0.090452 1.045893
C 3.347526 1.438027 0.756510
H -3.382834 -1.144222 -0.198154
H -2.750993 0.977092 -1.425770
H -2.683925 1.848013 0.137239
H -4.042862 -1.065477 2.219781
H -3.587672 0.661351 2.309653
H -2.327574 -0.578306 2.029044
H -5.751088 -0.450026 0.352141
H -5.192438 0.330659 -1.156341
H -5.252404 1.263969 0.369946
H 3.130456 -1.985236 0.855365
H 1.790181 2.742621 -0.028732
H 0.157019 -3.755230 -0.130464
H 1.225291 -3.124043 1.147617
H 1.919666 -3.637225 -0.430697
H 0.250458 -2.556214 -2.333494
H 0.197392 -0.775075 -2.213860
H -1.092699 -1.743734 -1.445657
H 4.631719 -0.150369 1.529793
H 4.032985 2.251783 1.011854


