%chk=000045207.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045207

0 1
 O    8.420600      7.1599998E-02 -0.6454000    
 O   -1.468200     -0.5906000     -5.0000001E-02
 N    5.764500     -0.4195000      0.2520000    
 N    2.083500     -0.1140000      0.7857000    
 C    4.525800     -1.7800000E-02  0.9152000    
 C    6.896000     -0.3747000       1.188600    
 C    6.037300      0.4397000     -0.9085000    
 C    3.319900     -0.4997000      0.1143000    
 C    8.178900     -0.7853000      0.4712000    
 C    7.339900      8.8000000E-03  -1.576600    
 C   0.9220000     -0.5757000      3.9299998E-02
 C  -0.3637000     -0.1341000      0.7199000    
 C   -2.705400     -0.2084000      0.5354000    
 C   -3.825000      -1.157900      0.1552000    
 C   -3.016800       1.234900      0.1982000    
 C   -4.888500      -1.369400       1.032900    
 C   -3.759900       2.013800       1.085200    
 C   -3.791900      -1.819600      -1.072300    
 C   -2.560100       1.785600     -0.9995000    
 C   -5.918400      -2.242500      0.6832000    
 C   -4.046500       3.343100      0.7748000    
 C   -4.822100      -2.692700      -1.422000    
 C   -2.846700       3.115000      -1.309700    
 C   -5.885300      -2.904100     -0.5442000    
 C   -3.589900       3.893700     -0.4226000    
 H    4.489500       1.067800       1.077300    
 H    4.470200     -0.4849000       1.908200    
 H    6.726800      -1.060600       2.026500    
 H    7.011900      0.6385000       1.595200    
 H    6.122000       1.488600     -0.5951000    
 H    5.242900      0.3739000      -1.657700    
 H    3.321000     -7.0799999E-02 -0.8930000    
 H    3.363700      -1.591600      1.3900000E-02
 H    9.031800     -0.6939000       1.151400    
 H    8.136400      -1.827100      0.1307000    
 H    7.268300      -1.005800      -1.987200    
 H    7.575700      0.6850000      -2.404600    
 H    2.049300      0.9002000      0.8859000    
 H   0.9334000     -0.1837000     -0.9858000    
 H   0.9245000      -1.669700     -4.3699998E-02
 H  -0.4124000     -0.5683000       1.726500    
 H  -0.3819000      0.9583000      0.8098000    
 H   -2.593000     -0.2922000       1.626800    
 H   -4.927300     -0.8646000       1.994200    
 H   -4.118600       1.600800       2.024000    
 H   -2.978700      -1.664100      -1.775900    
 H   -1.989900       1.197900      -1.713600    
 H   -6.746000      -2.407800       1.366900    
 H   -4.624200       3.949800       1.465900    
 H   -4.797700      -3.206500      -2.378600    
 H   -2.493600       3.543200      -2.243400    
 H   -6.687500      -3.583700     -0.8166000    
 H   -3.813300       4.928600     -0.6645000    


%chk=000045207-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045207

0 1
O 8.664761 -0.126772 -0.510396
O -1.544070 -0.662870 -0.051179
N 5.853435 -0.272120 0.230756
N 2.074570 0.085151 0.398953
C 4.525892 0.226190 0.660675
C 6.910964 -0.020019 1.245047
C 6.280664 0.264184 -1.088419
C 3.360612 -0.487543 -0.053422
C 8.234028 -0.659100 0.793651
C 7.613976 -0.373424 -1.511905
C 0.868223 -0.591231 -0.123860
C -0.376001 -0.030221 0.574685
C -2.818769 -0.317641 0.612029
C -3.899627 -1.232634 0.027938
C -3.134018 1.173406 0.469580
C -5.262845 -0.986679 0.331711
C -3.182641 2.012616 1.607795
C -3.562484 -2.350836 -0.771927
C -3.348080 1.737508 -0.814030
C -6.272455 -1.846687 -0.152208
C -3.449835 3.395568 1.473086
C -4.575015 -3.207437 -1.262766
C -3.607872 3.116932 -0.953156
C -5.932076 -2.962072 -0.953260
C -3.662099 3.950570 0.191162
H 4.433348 1.335019 0.509004
H 4.415394 0.044984 1.745184
H 6.598120 -0.466613 2.207735
H 7.074290 1.075722 1.408499
H 6.403614 1.377349 -1.050119
H 5.511749 0.032931 -1.847997
H 3.493049 -0.433738 -1.162738
H 3.385202 -1.558757 0.218487
H 9.051604 -0.421115 1.494226
H 8.108337 -1.761299 0.724619
H 7.474644 -1.467818 -1.646982
H 7.989065 0.072103 -2.448247
H 2.038111 1.100881 0.228076
H 0.735961 -0.489990 -1.228259
H 0.950976 -1.672060 0.094447
H -0.342765 -0.260492 1.660740
H -0.427607 1.074025 0.455472
H -2.714285 -0.541808 1.700367
H -5.534817 -0.114618 0.938452
H -3.011023 1.583558 2.603704
H -2.510227 -2.532533 -1.005275
H -3.308786 1.086639 -1.694840
H -7.321955 -1.644815 0.090710
H -3.488835 4.035165 2.362052
H -4.302701 -4.067598 -1.885355
H -3.772764 3.544714 -1.948642
H -6.715130 -3.628529 -1.332458
H -3.868504 5.021353 0.082400


