%chk=000057382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057382

0 1
 O    1.149900      -2.655500     -0.2307000    
 O   -3.105000       3.976900     -0.8314000    
 O    1.759600       1.905400     -0.2764000    
 O    6.728900     -0.3103000      0.4083000    
 O   -5.186600      -2.253800      -1.101000    
 N   0.1866000      0.5334000      0.7987000    
 N    1.765300     -0.4198000     -0.4627000    
 N   -1.679600       1.991100      0.6269000    
 N    4.100600     -5.1899999E-02 -0.6532000    
 C  -9.9600002E-02 -0.9013000      0.9296000    
 C    1.001200      -1.463600      1.2500000E-02
 C  -0.5837000       1.553700       1.489200    
 C    1.297900      0.8015000     -1.3400000E-02
 C   -1.446100      -1.259700      0.3921000    
 C   9.6400000E-02  -1.414700       2.351300    
 C    2.917500     -0.5825000      -1.327500    
 C   -2.508100       2.997000       1.306100    
 C   -1.163900       2.534200     -0.6375000    
 C    5.278500     -0.1291000      -1.528300    
 C    4.355800     -0.7763000      0.5996000    
 C   -3.637100       3.446400      0.3830000    
 C   -2.324200       2.995600      -1.514800    
 C   -1.628000      -1.414100     -0.9810000    
 C   -2.517700      -1.438100       1.265200    
 C    6.502500      0.4178000     -0.7992000    
 C    5.600900     -0.2129000       1.278700    
 C   -2.886000      -1.748000      -1.482700    
 C   -3.775700      -1.772100      0.7634000    
 C   -3.959800      -1.927100     -0.6105000    
 C   -6.240700      -2.422000     -0.1542000    
 H   8.5600004E-02   2.390300       1.725800    
 H  -0.9606000       1.148200       2.432200    
 H    2.716600      3.0000000E-03  -2.232300    
 H    3.034400      -1.635500      -1.608800    
 H  -0.1136000      -2.488500       2.430600    
 H    1.141500      -1.282200       2.660600    
 H  -0.5017000     -0.8899000       3.102400    
 H   -2.942200       2.576500       2.220300    
 H   -1.898300       3.865700       1.586500    
 H  -0.4910000       3.380700     -0.4521000    
 H  -0.6426000       1.778900      -1.230100    
 H    5.465000      -1.170000      -1.823800    
 H    5.114900      0.4584000      -2.438800    
 H    3.526200     -0.6760000       1.307200    
 H    4.503500      -1.845400      0.3976000    
 H   -4.219900       4.237900      0.8648000    
 H   -4.323400       2.622100      0.1529000    
 H   -2.967400       2.157000      -1.809300    
 H   -1.940200       3.455600      -2.430900    
 H  -0.8260000      -1.258500      -1.696300    
 H   -2.432500      -1.307800       2.338400    
 H    6.392700       1.484500     -0.5684000    
 H    7.391800      0.3049000      -1.427400    
 H    5.827100     -0.7903000       2.180800    
 H    5.459800      0.8322000       1.580400    
 H   -3.025200      -1.861600      -2.554400    
 H   -4.567300      -1.891500       1.495300    
 H   -6.040200      -3.255600      0.5273000    
 H   -6.453200      -1.490200      0.3809000    
 H   -7.143300      -2.679900     -0.7178000    


%chk=000057382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057382

0 1
O 1.363693 -2.380827 0.544823
O -4.231782 3.482550 -0.408176
O 2.006390 1.919354 -1.227631
O 6.887239 -0.872424 0.708376
O -4.993783 -2.342023 -1.170571
N 0.351059 1.051870 0.258124
N 1.871442 -0.384653 -0.619309
N -1.661312 2.436983 0.388683
N 4.291373 -0.794078 -0.521776
C 0.012906 -0.275116 0.867647
C 1.145568 -1.175714 0.270173
C -0.226220 2.333491 0.683195
C 1.449402 0.984388 -0.592796
C -1.349808 -0.814109 0.386960
C 0.175707 -0.244200 2.402196
C 3.092457 -0.833287 -1.341703
C -2.405552 3.366858 1.269646
C -1.968403 2.678876 -1.041052
C 5.291115 0.251713 -0.831016
C 4.895707 -2.090208 -0.143949
C -3.913878 3.213051 1.002549
C -3.482123 2.551196 -1.272641
C -1.605742 -0.910735 -1.008301
C -2.346296 -1.265412 1.276928
C 6.246455 0.409510 0.365030
C 5.858162 -1.875930 1.036616
C -2.819941 -1.417764 -1.493756
C -3.578606 -1.777741 0.808491
C -3.818147 -1.852600 -0.583836
C -6.049538 -2.818516 -0.273448
H 0.389770 3.113586 0.178594
H -0.101488 2.452665 1.777411
H 3.178418 -0.162472 -2.216210
H 2.879819 -1.862312 -1.685500
H 0.138300 -1.271810 2.800142
H 1.154050 0.191080 2.670253
H -0.619254 0.354960 2.878473
H -2.191395 3.118421 2.327468
H -2.115943 4.433735 1.098772
H -1.625669 3.693413 -1.362227
H -1.437405 1.929312 -1.654379
H 5.889713 -0.007421 -1.738340
H 4.768187 1.207113 -1.019686
H 4.092453 -2.788121 0.154650
H 5.463999 -2.542251 -0.993312
H -4.498845 3.945986 1.582756
H -4.227862 2.180043 1.267944
H -3.801158 1.507944 -1.066428
H -3.752967 2.828127 -2.304671
H -0.843194 -0.584658 -1.726092
H -2.182523 -1.225217 2.357844
H 5.679561 0.790228 1.242300
H 7.074571 1.097869 0.128103
H 6.412866 -2.798537 1.274562
H 5.281157 -1.542671 1.926265
H -3.019120 -1.497062 -2.566778
H -4.327971 -2.116565 1.530055
H -5.697838 -3.665867 0.346798
H -6.418026 -2.005489 0.382130
H -6.859451 -3.155332 -0.936675


