%chk=000132491.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132491

0 1
 O   -3.874300      -1.697800      0.4421000    
 O    4.185600       1.520200      0.6957000    
 O  -0.5376000      -2.797600       1.392800    
 O   0.9170000       1.941500       2.240100    
 O   3.0300001E-02   1.204900      -2.665000    
 N   -2.385500      0.7212000     -4.0300000E-02
 N    2.375100     -0.6797000     -0.5096000    
 N  -0.4532000      0.6708000      -1.608400    
 N   -2.386500       2.131500      -1.755900    
 N   9.6199997E-02 -0.2670000     -0.9300000    
 N    1.589800      -1.333800      -2.481400    
 C   -1.952300     -0.3196000      0.8611000    
 C   -2.445300      -1.703300      0.4333000    
 C    2.421500     -0.1040000      0.8344000    
 C    2.768300       1.386000      0.8181000    
 C   -1.960900      -2.779100       1.400500    
 C   -1.723500       1.172900      -1.148100    
 C    2.329500       2.063100       2.113000    
 C    1.290500     -0.7577000      -1.338300    
 C   -3.544200       1.437700      6.4999998E-02
 C    3.433300      -1.242300      -1.166000    
 C   -3.522200       2.301800      -1.004400    
 C    2.924100      -1.638700      -2.380200    
 C  -2.5800001E-02  -3.771400       2.291200    
 C   0.4499000       2.540300       3.440500    
 H   -2.414600     -7.0699997E-02   1.827900    
 H  -0.8842000     -0.2457000       1.057400    
 H   -2.112600      -1.932800     -0.5847000    
 H    1.447000     -0.3047000       1.288700    
 H    3.166100     -0.6834000       1.394400    
 H    2.298600       1.884900     -3.7200000E-02
 H   -2.330800      -2.580300       2.414200    
 H   -2.351100      -3.756800       1.092600    
 H    2.616100       3.121600       2.093800    
 H    2.827200       1.600900       2.974900    
 H   -4.259700       1.280700      0.8602000    
 H    4.421100      -1.309700     -0.7318000    
 H   -4.266600       3.037600      -1.271500    
 H    3.450600      -2.127400      -3.187000    
 H   -4.169800      -1.516900       1.350700    
 H    4.596400       1.105700       1.473600    
 H    1.066100      -3.744000       2.241800    
 H  -0.3634000      -4.772300       2.005600    
 H  -0.3342000      -3.547000       3.316900    
 H  -0.6361000       2.421000       3.483600    
 H   0.6848000       3.608900       3.453200    
 H   0.8899000       2.046300       4.312100    


%chk=000132491-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132491

0 1
O -3.654820 -1.712279 0.246095
O 3.870505 1.595654 0.563182
O -0.304627 -2.225374 1.799822
O 0.828436 1.291458 2.698099
O -0.733540 0.242905 -3.426519
N -2.375695 0.921484 -0.258331
N 2.354799 -0.721046 -0.689142
N -0.745054 0.435601 -2.137012
N -2.655812 1.950348 -2.276409
N 0.211572 0.126271 -1.253472
N 1.792603 -0.964850 -2.897424
C -1.924988 0.010747 0.813273
C -2.224038 -1.469765 0.493001
C 2.267938 -0.325636 0.723394
C 2.505612 1.185300 0.933427
C -1.746293 -2.403988 1.619770
C -1.901129 1.092564 -1.563371
C 2.223882 1.610837 2.385762
C 1.368456 -0.501300 -1.681380
C -3.515654 1.726614 -0.165091
C 3.432228 -1.327284 -1.320902
C -3.665559 2.354500 -1.406340
C 3.064304 -1.475690 -2.668883
C 0.251095 -3.160972 2.777334
C 0.443385 1.749627 4.032636
H -2.464189 0.305136 1.735112
H -0.849664 0.145233 0.989941
H -1.735132 -1.756024 -0.451101
H 1.274542 -0.600225 1.114462
H 3.026445 -0.905094 1.287262
H 1.854300 1.752375 0.250438
H -2.283195 -2.171249 2.571554
H -1.982740 -3.450339 1.333864
H 2.411664 2.701166 2.479323
H 2.905976 1.076092 3.091105
H -4.101643 1.777164 0.749228
H 4.342071 -1.589562 -0.787343
H -4.427174 3.063557 -1.720275
H 3.644496 -1.914665 -3.477430
H -4.178592 -1.407461 1.032215
H 4.522416 1.080357 1.106240
H 1.329856 -2.946392 2.833342
H 0.100709 -4.212931 2.457512
H -0.206182 -3.018777 3.779449
H -0.613586 1.469614 4.164698
H 0.547422 2.850710 4.127631
H 1.055193 1.261389 4.820850


