%chk=000036532.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036532

0 1
 O  -0.2938000       1.291900      0.3338000    
 O   0.8134000      0.6066000      -1.546200    
 N   -4.205000     -0.1884000      0.1556000    
 N    1.802100      0.5247000      0.5743000    
 C   -1.569400       1.014100     -0.2294000    
 C   -4.046500       1.273000      0.1663000    
 C   -3.220500     -0.8247000     -0.7313000    
 C   -2.645400       1.670300      0.6299000    
 C   -1.793600     -0.4940000     -0.2956000    
 C   -5.564100     -0.5527000     -0.2437000    
 C   -6.579600      5.6400001E-02  0.7190000    
 C   -5.691200      -2.072100     -0.2850000    
 C   0.7939000      0.7829000     -0.3342000    
 C    3.088700     -2.4999999E-03  0.3201000    
 C    3.283100      -1.376200      0.3537000    
 C    4.138400      0.8617000      4.1299999E-02
 C    4.553000      -1.896400      0.1039000    
 C    5.408100      0.3414000     -0.2085000    
 C    2.165100      -2.321900      0.6526000    
 C    3.947800       2.343500      6.9999998E-04
 C    5.615500      -1.037700     -0.1772000    
 H   -1.616900       1.447600      -1.237300    
 H   -4.732500       1.750500      0.8723000    
 H   -4.241900       1.698200     -0.8269000    
 H   -3.370600     -0.5170000      -1.774500    
 H   -3.278700      -1.916600     -0.6933000    
 H   -2.531100       2.760700      0.5964000    
 H   -2.502800       1.389500       1.682300    
 H   -1.586300     -0.9428000      0.6855000    
 H   -1.094100     -0.9702000     -0.9917000    
 H   -5.788800     -0.1735000      -1.250300    
 H   -6.312600     -0.1322000       1.765200    
 H   -6.700800       1.134600      0.5748000    
 H   -7.572000     -0.3802000      0.5555000    
 H   -5.290300      -2.543700      0.6198000    
 H   -5.207800      -2.512500      -1.163200    
 H   -6.746100      -2.363800     -0.3548000    
 H    1.606300      0.7322000       1.550300    
 H    4.732300      -2.968200      0.1235000    
 H    6.247200      0.9957000     -0.4301000    
 H    1.694800      -2.073000       1.609900    
 H    1.411500      -2.284700     -0.1408000    
 H    2.515200      -3.357400      0.7257000    
 H    4.896000       2.872600     -0.1448000    
 H    3.286300       2.620500     -0.8267000    
 H    3.520100       2.703300      0.9424000    
 H    6.604200      -1.442700     -0.3721000    


%chk=000036532-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036532

0 1
O -0.260321 0.302057 0.824298
O 0.865772 0.403728 -1.251791
N -4.451016 -0.143097 0.050291
N 1.982277 0.008029 0.800911
C -1.567544 0.481105 0.121607
C -3.954237 1.177924 0.525669
C -3.515207 -0.695286 -0.969582
C -2.543041 1.067573 1.143641
C -2.088638 -0.863592 -0.403488
C -5.870580 -0.083086 -0.442084
C -6.818697 0.460974 0.653263
C -6.365236 -1.480005 -0.887399
C 0.881110 0.250528 -0.005229
C 3.337664 -0.154830 0.352880
C 4.021837 -1.346081 0.741496
C 3.986858 0.863916 -0.403895
C 5.367994 -1.515581 0.343716
C 5.330544 0.641939 -0.798283
C 3.315284 -2.415916 1.556079
C 3.295119 2.162845 -0.762545
C 6.019790 -0.532877 -0.432918
H -1.402428 1.177382 -0.723716
H -4.638280 1.565946 1.296701
H -3.936037 1.927435 -0.311553
H -3.478871 -0.038598 -1.880109
H -3.875754 -1.683892 -1.294212
H -2.200527 2.065013 1.475663
H -2.584100 0.405115 2.027743
H -2.112351 -1.589599 0.430477
H -1.419851 -1.251210 -1.192938
H -5.934270 0.605371 -1.328316
H -6.684368 -0.114152 1.587850
H -6.656911 1.530259 0.872350
H -7.867550 0.351726 0.324305
H -6.195599 -2.215136 -0.079348
H -5.865924 -1.841949 -1.802202
H -7.448165 -1.440143 -1.101702
H 1.761671 -0.214896 1.774136
H 5.899787 -2.429190 0.634116
H 5.840837 1.414661 -1.385072
H 3.096174 -2.080084 2.590205
H 2.350972 -2.701939 1.096630
H 3.939297 -3.321603 1.636169
H 4.030117 2.924566 -1.073578
H 2.571930 2.008749 -1.583699
H 2.720962 2.561687 0.094492
H 7.060108 -0.678983 -0.743830


