%chk=000094150.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094150

0 1
 O  -0.1299000     -0.9580000      -1.027800    
 O  -0.7382000      -3.356300      0.1502000    
 O    4.432200       1.556700      0.8092000    
 O    4.521100      -1.012500     -0.2474000    
 N   -2.673500       2.497500     -0.4563000    
 C   -1.663300       1.417200     -0.6232000    
 C   -2.058400      7.6800004E-02 -2.3300000E-02
 C  -0.3659000       1.896900      7.4400000E-02
 C   -4.050900       2.002200     -0.3697000    
 C   -3.250200     -8.7499999E-02  0.6977000    
 C   -4.193900       1.071000      0.8324000    
 C   -1.225400      -1.033600     -0.2030000    
 C   0.8846000       1.049900     -3.5700001E-02
 C   -2.575200       3.494600      -1.527700    
 C   -3.552800      -1.324400       1.283200    
 C   0.9455000     -0.2581000     -0.5341000    
 C   -1.542800      -2.275700      0.3484000    
 C   -2.699500      -2.413400       1.110000    
 C    2.082900       1.633300      0.4228000    
 C    2.171400     -0.9350000     -0.6181000    
 C    3.298800      0.9509000      0.3585000    
 C    3.343600     -0.3338000     -0.1682000    
 C   -1.011500      -4.168000     -0.9906000    
 C    4.768900       1.363400       2.181900    
 C    5.282300     -0.8542000      -1.443600    
 H   -1.489600       1.247500      -1.695200    
 H  -0.5667000       2.031400       1.147900    
 H  -0.1006000       2.886200     -0.3213000    
 H   -4.341900       1.486300      -1.295000    
 H   -4.743900       2.841200     -0.2306000    
 H   -5.229000      0.7124000      0.8789000    
 H   -3.980300       1.604400       1.766600    
 H   -2.810400       3.065900      -2.508700    
 H   -1.574700       3.935100      -1.578000    
 H   -3.266200       4.324800      -1.342400    
 H   -4.465200      -1.450000       1.860600    
 H   -2.954600      -3.371000       1.555800    
 H    2.066200       2.642700      0.8315000    
 H    2.205900      -1.942000      -1.028700    
 H   -2.013200      -4.603200     -0.9197000    
 H  -0.2787000      -4.979100      -1.017000    
 H  -0.9198000      -3.583800      -1.911700    
 H    5.697400       1.903500       2.386100    
 H    4.927800      0.3014000       2.393800    
 H    3.981700       1.762500       2.829500    
 H    5.563700      0.1940000      -1.585300    
 H    4.715000      -1.211600      -2.308800    
 H    6.193400      -1.451600      -1.351300    


%chk=000094150-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094150

0 1
O -0.231699 -1.164588 -0.707773
O -1.140928 -3.567473 0.504613
O 4.449881 1.716988 0.619933
O 4.546042 -1.020719 -0.441455
N -2.686340 2.428833 -0.529722
C -1.703222 1.307289 -0.500555
C -2.279788 0.004680 0.045398
C -0.495458 1.738041 0.391651
C -4.112841 2.039099 -0.550816
C -3.552269 -0.066774 0.669274
C -4.429294 1.172230 0.678826
C -1.475169 -1.157635 -0.017901
C 0.798977 0.963819 0.177932
C -2.357544 3.426515 -1.565523
C -3.990287 -1.296032 1.216436
C 0.880535 -0.369511 -0.304431
C -1.926957 -2.399009 0.504892
C -3.188736 -2.452226 1.138324
C 2.027119 1.606311 0.482180
C 2.125884 -1.000448 -0.519921
C 3.277049 0.986118 0.305200
C 3.328745 -0.330763 -0.236275
C -0.782783 -4.118036 -0.819909
C 5.233922 1.147414 1.741206
C 5.449968 -0.393430 -1.434321
H -1.317542 1.103281 -1.530933
H -0.826203 1.668067 1.446121
H -0.291250 2.808094 0.206918
H -4.394702 1.483134 -1.481752
H -4.711492 2.969147 -0.528193
H -5.497373 0.884756 0.681881
H -4.243681 1.777983 1.587618
H -2.487242 3.038239 -2.607043
H -1.309890 3.759841 -1.460992
H -3.005400 4.313258 -1.445713
H -4.975879 -1.350254 1.693299
H -3.515736 -3.409730 1.555248
H 2.021009 2.630597 0.872165
H 2.157078 -2.021750 -0.907793
H -1.695739 -4.437355 -1.359847
H -0.150610 -4.993502 -0.606349
H -0.227886 -3.377880 -1.420452
H 6.122209 1.790679 1.835884
H 5.530886 0.104915 1.525753
H 4.641678 1.182487 2.675411
H 5.688644 0.647161 -1.150075
H 4.981398 -0.411072 -2.436711
H 6.359119 -1.013889 -1.434712


