%chk=000050711.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050711

0 1
 O  -0.9688000      0.8641000      0.6726000    
 O   -1.218600      -1.357400       1.221900    
 N    2.689600      0.3723000      0.3776000    
 N   -6.946900      0.2934000      -1.204400    
 C    3.529200     -4.8799999E-02 -0.7452000    
 C    3.466300      -1.574700     -0.9567000    
 C    4.986800      0.3899000     -0.5039000    
 C    1.293800      0.4441000     -2.3399999E-02
 C    3.955800      -2.382400      0.2494000    
 C    5.226000       1.875600     -0.7931000    
 C   0.3801000      0.8403000       1.138800    
 C    3.894700      -3.877900     -2.3600001E-02
 C    6.669500       2.268500     -0.5178000    
 C   0.6962000       2.218700       1.705200    
 C   -1.651600     -0.3068000      0.7744000    
 C   -3.034400     -0.1503000      0.2570000    
 C   -3.910000      -1.236100      0.2673000    
 C   -3.458100       1.082700     -0.2388000    
 C   -5.209200      -1.089000     -0.2184000    
 C   -4.757400       1.229800     -0.7245000    
 C   -5.632800      0.1440000     -0.7144000    
 H    3.193200      0.4318000      -1.674100    
 H    2.446000      -1.884200      -1.211800    
 H    4.079000      -1.833700      -1.830500    
 H    5.655500     -0.1900000      -1.153700    
 H    5.289200      0.1699000      0.5284000    
 H    2.988800       1.288100      0.7068000    
 H    1.161900       1.166200     -0.8403000    
 H   0.9467000     -0.5192000     -0.4130000    
 H    3.343900      -2.161300       1.131000    
 H    4.990600      -2.123300      0.4960000    
 H    4.568800       2.498700     -0.1771000    
 H    4.988000       2.091700      -1.841100    
 H   0.4885000      0.1214000       1.962000    
 H    4.524900      -4.147100     -0.8772000    
 H    4.247300      -4.437100      0.8487000    
 H    2.869500      -4.195500     -0.2388000    
 H    7.359200       1.691900      -1.142300    
 H    6.929500       2.096600      0.5315000    
 H    6.821100       3.330300     -0.7357000    
 H  -5.1399998E-02   2.500300       2.455300    
 H    1.681000       2.255400       2.179300    
 H   0.6541000       2.982800      0.9210000    
 H   -3.599300      -2.204800      0.6495000    
 H   -2.810600       1.954400     -0.2658000    
 H   -5.882300      -1.942400     -0.2050000    
 H   -5.076300       2.195700      -1.108200    
 H   -7.253900       1.186500      -1.565900    
 H   -7.581600     -0.4940000      -1.199100    


%chk=000050711-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050711

0 1
O -0.869385 0.626735 0.821090
O -0.657239 -1.340654 -0.428823
N 2.821172 1.095163 0.075655
N -6.994325 0.033165 -1.003363
C 3.528517 0.162488 -0.841575
C 3.139996 -1.314035 -0.553222
C 5.055988 0.398828 -0.738084
C 1.360549 1.226193 -0.073595
C 3.574262 -1.846782 0.831005
C 5.542068 1.742595 -1.331904
C 0.602678 0.581682 1.117368
C 2.960357 -3.229743 1.140653
C 7.079387 1.885797 -1.288012
C 0.798544 1.324163 2.436260
C -1.378708 -0.404879 0.016854
C -2.831474 -0.259747 -0.225182
C -3.489972 -1.233102 -1.025431
C -3.593498 0.814618 0.310072
C -4.864139 -1.142487 -1.286433
C -4.969413 0.915318 0.055707
C -5.630383 -0.063114 -0.748629
H 3.230119 0.366931 -1.903835
H 2.041267 -1.424845 -0.653917
H 3.585284 -1.944700 -1.351117
H 5.567659 -0.427357 -1.271825
H 5.361949 0.330510 0.324631
H 3.299368 1.996110 0.160725
H 1.063487 2.293351 -0.129201
H 1.016964 0.739254 -1.008974
H 3.268748 -1.113745 1.603180
H 4.679290 -1.914233 0.883438
H 5.089604 2.596128 -0.785030
H 5.188778 1.824915 -2.380188
H 0.898754 -0.478940 1.198949
H 3.267877 -3.980261 0.387180
H 3.273549 -3.601238 2.134377
H 1.854876 -3.180931 1.125166
H 7.566998 1.076496 -1.863644
H 7.452425 1.827041 -0.248122
H 7.410555 2.850988 -1.713378
H 0.279432 0.811741 3.264187
H 1.878765 1.362452 2.661968
H 0.411691 2.357483 2.366830
H -2.896009 -2.057779 -1.433692
H -3.088927 1.563803 0.926634
H -5.357854 -1.901410 -1.905449
H -5.545635 1.748865 0.475663
H -7.543918 0.797754 -0.621676
H -7.468581 -0.661485 -1.573388


