%chk=000039579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039579

0 1
 O  -0.5316000       4.558500     -7.4100003E-02
 O    1.645000       3.549500      0.1166000    
 O   0.1769000      -3.102700     -5.8200002E-02
 N  -0.4919000     -0.9442000     -2.4100000E-02
 N   -4.612900      -1.233900      0.3753000    
 C   -2.551800     -1.9099999E-02 -6.7800000E-02
 C   -1.852300      -1.204100     -1.4600000E-02
 C   -2.516700      -2.542700      1.8100001E-02
 C   -4.043900      3.9999999E-02 -0.1190000    
 C   -1.608100       1.036500     -8.2300000E-02
 C   -4.017200      -2.397700     -0.3131000    
 C  -0.3266000      0.4499000     -1.6700000E-02
 C   -1.745400       2.444500     -0.1222000    
 C   0.8318000       1.251400      8.3099999E-02
 C   -6.066800      -1.229900      0.2126000    
 C   0.5248000      -1.925800     -1.9200001E-02
 C  -0.5896000       3.198000     -6.0199998E-02
 C   0.6479000       2.622500      4.6100002E-02
 C    1.972600      -1.659000     -4.9999999E-03
 C   0.8893000       4.774100      3.4400001E-02
 C    2.645900      -1.538200       1.209500    
 C    2.667600      -1.528000      -1.206300    
 C    4.017700      -1.285600       1.222800    
 C    4.039400      -1.275700      -1.193100    
 C    4.714600      -1.154500      2.1500001E-02
 C    6.181300     -0.8837000      3.5999998E-02
 H   -2.082200      -3.228300     -0.7159000    
 H   -2.399200      -2.977500       1.017900    
 H   -4.397900      0.8644000      0.5110000    
 H   -4.357300      0.2389000      -1.152000    
 H   -4.151300      -2.304200      -1.399700    
 H   -4.519800      -3.323200     -5.9000002E-03
 H   -2.721300       2.915100     -0.1811000    
 H    1.831500      0.8571000      0.1682000    
 H   -6.512000     -0.3872000      0.7532000    
 H   -6.503500      -2.140500      0.6373000    
 H   -6.365300      -1.162300     -0.8398000    
 H    1.227500       5.337600     -0.8428000    
 H    1.086700       5.369600      0.9330000    
 H    2.112100      -1.638600       2.150900    
 H    2.150700      -1.620500      -2.157900    
 H    4.532600      -1.194600       2.175500    
 H    4.571200      -1.176800      -2.135700    
 H    6.737200      -1.826500      3.9600000E-02
 H    6.484200     -0.3009000     -0.8406000    
 H    6.467200     -0.3039000      0.9202000    


%chk=000039579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039579

0 1
O -0.641945 4.755003 -0.408667
O 1.498585 3.915479 0.254349
O 0.180323 -2.661230 1.706299
N -0.444523 -0.763030 0.501205
N -4.591511 -1.320008 0.022748
C -2.527918 0.012820 -0.067205
C -1.819194 -1.113630 0.306202
C -2.411943 -2.490012 0.396847
C -3.997509 -0.024479 -0.389780
C -1.617428 1.141718 -0.082650
C -3.757829 -2.483494 -0.368520
C -0.315126 0.647421 0.280302
C -1.831143 2.528119 -0.336274
C 0.800927 1.504703 0.461815
C -5.993455 -1.439880 -0.412842
C 0.534049 -1.682895 0.985295
C -0.719419 3.351658 -0.180137
C 0.550232 2.854424 0.212324
C 1.955312 -1.502330 0.557190
C 0.680811 5.148788 0.136329
C 2.982100 -1.952612 1.427106
C 2.305965 -1.015655 -0.729481
C 4.331221 -1.884431 1.031216
C 3.657585 -0.969148 -1.125371
C 4.693820 -1.395175 -0.252797
C 6.145936 -1.359284 -0.691204
H -1.737280 -3.256273 -0.028853
H -2.574159 -2.769767 1.453265
H -4.531714 0.788208 0.142676
H -4.144809 0.165800 -1.488659
H -3.557347 -2.495549 -1.471970
H -4.319835 -3.403237 -0.124686
H -2.808282 2.925122 -0.621259
H 1.788492 1.158848 0.765990
H -6.576742 -0.584314 -0.026094
H -6.434465 -2.365164 -0.001843
H -6.114927 -1.461515 -1.526624
H 1.169614 5.836995 -0.568948
H 0.540141 5.585608 1.144669
H 2.701614 -2.355898 2.405799
H 1.523101 -0.683173 -1.418897
H 5.115844 -2.218746 1.720259
H 3.914409 -0.596719 -2.124044
H 6.438224 -2.317986 -1.162549
H 6.327344 -0.561080 -1.431706
H 6.823956 -1.196206 0.164674


