%chk=000022673.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022673

0 1
 O    3.408200       2.194200     -0.3943000    
 O    4.654300     -0.1579000      0.3988000    
 N   -1.677300      -1.160400      0.1758000    
 C   -1.046000      -2.436600     -0.1816000    
 C  -0.9544000     -4.1000001E-02 -0.4532000    
 C   0.3578000      -2.511700      0.4277000    
 C   -3.084000      -1.147000     -0.2244000    
 C   0.5348000     -7.1099997E-02 -0.1962000    
 C    1.169600      -1.266500      0.1826000    
 C   -3.754000      0.1469000      0.2352000    
 C   -5.233400      0.1725000     -0.1549000    
 C    1.302200       1.084000     -0.3984000    
 C    2.555000      -1.280300      0.3898000    
 C   -5.898700       1.480700      0.2718000    
 C    2.682300       1.058100     -0.1989000    
 C    3.307600     -0.1221000      0.1969000    
 C   -7.376700       1.496200     -8.4399998E-02
 C    3.583200       3.053000      0.7309000    
 C    5.469500     -0.4910000     -0.7231000    
 H  -0.9932000      -2.553600      -1.272700    
 H   -1.629800      -3.280100      0.2069000    
 H   -1.300900      0.9080000     -3.2200001E-02
 H   -1.113200     -2.5000000E-02  -1.539600    
 H   0.8774000      -3.382400      1.0100000E-02
 H   0.2780000      -2.657800       1.512500    
 H   -3.189500      -1.263100      -1.311000    
 H   -3.605500      -1.991200      0.2440000    
 H   -3.656200      0.2580000       1.322300    
 H   -3.298000       1.026300     -0.2300000    
 H   -5.331800      4.9300000E-02  -1.240400    
 H   -5.750200     -0.6736000      0.3145000    
 H   0.8210000       2.007100     -0.7139000    
 H    3.047400      -2.197800      0.7037000    
 H   -5.789500       1.618500       1.353900    
 H   -5.402400       2.328200     -0.2150000    
 H   -7.832300       2.440700      0.2290000    
 H   -7.520900       1.391300      -1.164500    
 H   -7.909200      0.6802000      0.4146000    
 H    4.108200       2.530400       1.536800    
 H    2.615400       3.419100       1.087900    
 H    4.187100       3.909000      0.4177000    
 H    6.515200     -0.4711000     -0.4046000    
 H    5.334800      0.2387000      -1.527800    
 H    5.232400      -1.496900      -1.084000    


%chk=000022673-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022673

0 1
O 3.570504 2.153456 -0.515077
O 4.757480 -0.327372 0.499349
N -1.723666 -1.038750 0.095175
C -1.087430 -2.356252 -0.152423
C -0.926081 0.058040 -0.500991
C 0.245754 -2.441901 0.611261
C -3.140099 -1.004832 -0.344756
C 0.565617 -0.050615 -0.204690
C 1.135982 -1.246142 0.306285
C -3.913738 0.236855 0.145114
C -5.424139 0.141070 -0.169886
C 1.401051 1.063294 -0.458964
C 2.534783 -1.307482 0.518979
C -6.218437 1.390258 0.275272
C 2.787993 1.007616 -0.224821
C 3.367938 -0.205523 0.247253
C -7.727201 1.285284 -0.035952
C 4.235328 2.751920 0.665714
C 5.609723 -0.200890 -0.705446
H -0.911037 -2.533468 -1.245798
H -1.775885 -3.144821 0.202602
H -1.301121 1.022490 -0.112937
H -1.066179 0.088284 -1.617541
H 0.768705 -3.384700 0.359052
H 0.024662 -2.470025 1.696363
H -3.221912 -1.068025 -1.463930
H -3.634217 -1.907882 0.064502
H -3.759724 0.338252 1.237432
H -3.510781 1.156354 -0.324491
H -5.566890 -0.010921 -1.260733
H -5.848744 -0.756155 0.327557
H 0.984056 2.005080 -0.834668
H 3.003153 -2.225519 0.891924
H -6.073208 1.545095 1.363745
H -5.797977 2.286616 -0.224941
H -8.272786 2.189720 0.290518
H -7.899934 1.159366 -1.121644
H -8.177902 0.414903 0.477518
H 4.893464 2.017096 1.163794
H 3.477043 3.120691 1.382727
H 4.823612 3.596524 0.275132
H 6.645886 -0.280202 -0.342074
H 5.446455 0.770968 -1.205584
H 5.394199 -1.025553 -1.411625


