%chk=000005401.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005401

0 1
 O    6.926600     -0.2146000      -1.230200    
 O    5.805100       1.246100      0.6276000    
 O   -5.594600      -2.512600     -9.1899998E-02
 O   -6.827800     -2.2500001E-02 -0.1009000    
 N    3.698400      0.3868000      0.1556000    
 N   0.8118000      0.6017000      0.1452000    
 N   -1.315100     -0.4296000      6.7199998E-02
 N   -1.111800       1.971400      0.1017000    
 N   -3.025700       3.339200      5.7999998E-02
 C    5.726000     -0.7375000     -0.6550000    
 C    2.853900     -0.6314000     -0.4730000    
 C    3.004700       1.455300      0.8699000    
 C    1.460200     -0.7120000      0.1502000    
 C    1.661600       1.793300      0.2266000    
 C    6.119400      -1.891400      0.2476000    
 C    5.092600      0.3896000      9.8999999E-02
 C    7.541900      -1.546700      0.6185000    
 C    8.047200     -0.8941000     -0.6483000    
 C  -0.5753000      0.7198000      0.1035000    
 C   -2.655000     -0.3233000      2.6200000E-02
 C   -3.291200      0.9289000      2.1100000E-02
 C   -2.455600       2.041700      6.0500000E-02
 C   -3.458100      -1.460500     -1.2300000E-02
 C   -4.692900       1.027700     -2.1800000E-02
 C   -4.852600      -1.370500     -5.5000000E-02
 C   -5.470900     -0.1252000     -5.9799999E-02
 C   -5.987400      -3.070800       1.160200    
 C   -7.435000      4.1200001E-02  -1.390300    
 H    5.102900      -1.065900      -1.489500    
 H    3.327900      -1.614200     -0.3976000    
 H    2.779600     -0.3706000      -1.535700    
 H    3.635400       2.349600      0.9143000    
 H    2.859800       1.106400       1.899800    
 H   0.8837000      -1.447900     -0.4226000    
 H    1.526700      -1.072300       1.183900    
 H    1.191500       2.576600      0.8330000    
 H    1.813500       2.193500     -0.7830000    
 H    6.108400      -2.827500     -0.3236000    
 H    5.471500      -2.019000       1.119700    
 H    7.549000     -0.8250000       1.443400    
 H    8.137800      -2.412700      0.9185000    
 H    8.855500     -0.1816000     -0.4627000    
 H    8.396800      -1.642200      -1.367900    
 H   -2.991200      -2.444300     -1.0100000E-02
 H   -5.203000       1.987100     -1.7000001E-02
 H   -2.367600       4.107800      0.1160000    
 H   -3.856800       3.499900     -0.4970000    
 H   -6.606500      -2.363100       1.720600    
 H   -5.107600      -3.348800       1.749100    
 H   -6.576000      -3.971200      0.9644000    
 H   -7.088600      0.9262000      -1.933600    
 H   -8.517600      0.1146000      -1.255700    
 H   -7.214200     -0.8636000      -1.965300    


%chk=000005401-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005401

0 1
O 6.531639 -0.433828 -1.877353
O 5.776674 1.227234 0.294872
O -5.622332 -2.499674 -0.121037
O -6.788587 0.139443 -0.543587
N 3.701719 0.174715 0.406229
N 0.862936 0.496351 0.730053
N -1.253551 -0.502818 0.453317
N -0.947372 1.930427 0.341609
N -2.697295 3.408644 -0.019325
C 5.551333 -0.909544 -0.898703
C 2.769719 -0.932490 0.054310
C 3.151568 1.276565 1.233723
C 1.482884 -0.828188 0.893525
C 1.748443 1.684369 0.757412
C 6.342172 -1.926600 -0.027886
C 5.018849 0.258036 -0.031778
C 7.730513 -1.238274 0.097741
C 7.876681 -0.445892 -1.230802
C -0.495849 0.626451 0.499301
C -2.605001 -0.321455 0.215350
C -3.194470 0.987358 0.035338
C -2.269220 2.107000 0.122325
C -3.460610 -1.465984 0.166685
C -4.589106 1.103857 -0.228152
C -4.830939 -1.331353 -0.062072
C -5.404650 -0.028581 -0.293701
C -6.681174 -2.587395 0.913336
C -7.251606 -0.441693 -1.827036
H 4.745145 -1.381496 -1.483886
H 3.241514 -1.913743 0.251758
H 2.505157 -0.888022 -1.021266
H 3.850434 2.124863 1.148058
H 3.123807 0.976229 2.300275
H 0.746111 -1.580156 0.568852
H 1.712069 -1.024989 1.961176
H 1.327856 2.449502 1.434384
H 1.802675 2.142038 -0.249742
H 6.424975 -2.880261 -0.579259
H 5.875773 -2.122789 0.953472
H 7.730156 -0.541318 0.951261
H 8.540705 -1.973730 0.238327
H 8.186008 0.597535 -1.051316
H 8.561739 -0.928442 -1.951445
H -3.030814 -2.457896 0.327143
H -5.073415 2.070956 -0.406001
H -1.999040 4.146459 0.046986
H -3.673057 3.647422 -0.162591
H -7.355709 -1.714053 0.864713
H -6.220452 -2.653875 1.916991
H -7.229651 -3.515068 0.690568
H -6.759655 0.071029 -2.675529
H -8.336858 -0.260319 -1.856822
H -7.037535 -1.524761 -1.868305


