%chk=000059331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059331

0 1
 O  -2.9000000E-03 -0.6880000     -0.3409000    
 O   -1.018900       1.014000      -1.527300    
 N   -5.161900     -0.3270000      0.3105000    
 C   -2.340000     -0.6426000     -0.3866000    
 C   -3.421200     -0.4287000      -1.444500    
 C   -2.788200     -6.7100003E-02  0.9554000    
 C   -4.777500     -0.9481000     -0.9646000    
 C   -4.165300     -0.5998000       1.355200    
 C   -1.067300      9.3000000E-03 -0.8307000    
 C   -6.483200     -0.7944000      0.7294000    
 C    1.284800     -0.1713000     -0.6917000    
 C    1.436800       1.243700     -0.1731000    
 C    2.402500      -1.089700     -0.2371000    
 C    2.241200       2.132300     -0.8640000    
 C    3.577700      -1.129700     -0.9643000    
 C   0.7674000       1.615100      0.9793000    
 C    2.218900      -1.863900      0.8937000    
 C    2.381100       3.435400     -0.3867000    
 C    4.606100      -1.974300     -0.5460000    
 C   0.9073000       2.918300       1.456600    
 C    3.247500      -2.708400       1.311900    
 C    1.714200       3.828500      0.7735000    
 C    4.441000      -2.763500      0.5919000    
 H   -2.169400      -1.723200     -0.2908000    
 H   -3.141500     -0.9357000      -2.376200    
 H   -3.518900      0.6376000      -1.689900    
 H   -2.817200       1.029900      0.9070000    
 H   -2.059800     -0.3219000       1.734800    
 H   -5.524300     -0.7122000      -1.732600    
 H   -4.740800      -2.041600     -0.8717000    
 H   -4.098100      -1.676500       1.560500    
 H   -4.462700     -0.1084000       2.289600    
 H   -7.236400     -0.5472000     -2.7000001E-02
 H   -6.792700     -0.2948000       1.654200    
 H   -6.505500      -1.877200      0.8978000    
 H    1.308100     -0.1543000      -1.791800    
 H    2.760500       1.840400      -1.771700    
 H    3.716800     -0.5242000      -1.854700    
 H   0.1583000      0.9208000       1.549200    
 H    1.301900      -1.828800       1.473900    
 H    3.008300       4.144400     -0.9190000    
 H    5.534900      -2.018000      -1.107100    
 H   0.3936000       3.222600       2.363900    
 H    3.120100      -3.321400       2.199400    
 H    1.824300       4.842700       1.146000    
 H    5.241800      -3.420800      0.9178000    


%chk=000059331-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059331

0 1
O 0.015611 -0.579547 -0.178772
O -0.947177 0.355488 -2.094163
N -5.270486 -0.314356 0.058409
C -2.377528 -0.677788 -0.357762
C -3.420076 -1.122458 -1.410023
C -2.955813 0.505897 0.477219
C -4.760428 -1.460734 -0.729738
C -4.304954 0.101713 1.101198
C -1.071293 -0.246392 -1.002365
C -6.613621 -0.571297 0.611064
C 1.370701 -0.071166 -0.611949
C 1.574656 1.318825 -0.018402
C 2.407223 -1.114462 -0.203882
C 1.335983 2.464237 -0.817750
C 3.783438 -0.803967 -0.359276
C 1.957085 1.486225 1.336954
C 2.042108 -2.397054 0.269480
C 1.480768 3.759767 -0.272402
C 4.774444 -1.759411 -0.049591
C 2.096052 2.779440 1.883786
C 3.036107 -3.352394 0.585141
C 1.860097 3.920515 1.080003
C 4.404516 -3.039941 0.425323
H -2.158084 -1.511090 0.338025
H -3.055122 -2.007018 -1.965804
H -3.567011 -0.305785 -2.138895
H -3.109630 1.376897 -0.186333
H -2.244439 0.795572 1.272762
H -5.512902 -1.715363 -1.499479
H -4.628194 -2.370678 -0.082150
H -4.133436 -0.718744 1.850587
H -4.731994 0.962325 1.649620
H -7.315359 -0.806114 -0.209356
H -6.983220 0.332476 1.128156
H -6.638501 -1.421367 1.340808
H 1.330577 0.013575 -1.715682
H 1.019224 2.335284 -1.859185
H 4.077536 0.189773 -0.717590
H 2.148106 0.602285 1.956083
H 0.982761 -2.637005 0.393756
H 1.295278 4.639277 -0.898875
H 5.832789 -1.505251 -0.176433
H 2.390644 2.900485 2.932337
H 2.739531 -4.340903 0.954117
H 1.972074 4.924627 1.504685
H 5.173355 -3.782096 0.667841


