%chk=000127688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127688

0 1
 O    4.079900       1.753400      0.7957000    
 O    4.760000     -0.6107000       1.851400    
 O    4.259500      -1.744100      -1.576900    
 O   -6.196100     -0.3493000      0.2143000    
 O   -4.841300      -2.081900      0.2296000    
 N   -5.049700     -0.8492000      0.1801000    
 C    4.777900      0.8394000     -5.7999998E-02
 C    3.407800       1.367000     -0.4121000    
 C    4.900600     -0.5717000      0.4323000    
 C    2.219200      0.4427000     -0.2714000    
 C    3.864200      -1.500000     -0.2264000    
 C    2.447900     -0.9508000     -0.1880000    
 C   0.8815000      0.9232000     -0.2203000    
 C  -0.1962000      6.3999998E-03 -0.1142000    
 C    1.373800      -1.844200     -9.5299996E-02
 C   5.5500001E-02  -1.382100     -5.6100000E-02
 C   -1.538400      0.4707000     -6.7299999E-02
 C   0.5711000       2.296100     -0.2697000    
 C   -1.811800       1.855500     -0.1220000    
 C   -2.609700     -0.4491000      3.4299999E-02
 C   -1.016500      -2.279200      4.3499999E-02
 C  -0.7472000       2.754500     -0.2218000    
 C   -2.332000      -1.819300      8.8100001E-02
 C   -3.928400      2.6500000E-02  7.9400003E-02
 C   -3.140600       2.302800     -7.4500002E-02
 C   -4.191000       1.393400      2.5300000E-02
 H    5.637400       1.199300     -0.6055000    
 H    3.381800       2.092200      -1.220000    
 H    5.911300     -0.9299000      0.2063000    
 H    3.878900      -2.462200      0.3016000    
 H    1.574800      -2.913500     -4.9400002E-02
 H    3.870600     -0.2896000       2.077100    
 H    1.358000       3.043900     -0.3442000    
 H    5.136300      -2.164200      -1.555300    
 H  -0.8330000      -3.351500      8.9000002E-02
 H  -0.9287000       3.826600     -0.2638000    
 H   -2.997200      -2.660200      0.1653000    
 H   -3.368500       3.366000     -0.1153000    
 H   -5.198900       1.799600      5.7599999E-02


%chk=000127688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127688

0 1
O 4.105773 1.787333 0.884139
O 4.763651 -0.627301 1.894930
O 4.250351 -1.671283 -1.679579
O -6.359040 -0.176967 0.147067
O -5.134540 -2.085243 0.199021
N -5.219163 -0.794044 0.137097
C 4.777090 0.847209 -0.099509
C 3.397188 1.316903 -0.419680
C 4.943549 -0.583373 0.445286
C 2.244571 0.390506 -0.251162
C 3.924891 -1.530934 -0.236946
C 2.501216 -1.006366 -0.170022
C 0.904029 0.885740 -0.201921
C -0.195745 -0.044135 -0.103104
C 1.426852 -1.906213 -0.062572
C 0.081994 -1.454773 -0.036377
C -1.558046 0.423192 -0.065966
C 0.610013 2.300735 -0.235333
C -1.807484 1.843492 -0.120419
C -2.659830 -0.521737 0.026190
C -1.024501 -2.370019 0.059534
C -0.694581 2.757121 -0.197790
C -2.337830 -1.933924 0.086940
C -3.987481 0.030226 0.050637
C -3.145920 2.321205 -0.089523
C -4.217109 1.428202 -0.007292
H 5.626857 1.293955 -0.624835
H 3.287495 2.144825 -1.128674
H 5.968138 -0.943040 0.236529
H 3.980812 -2.513247 0.273189
H 1.628795 -2.982466 -0.009320
H 4.295870 0.219249 2.147929
H 1.433390 3.020285 -0.268064
H 5.068267 -2.225845 -1.769747
H -0.811730 -3.443994 0.110130
H -0.906051 3.831932 -0.220012
H -3.154369 -2.650091 0.156650
H -3.333950 3.399159 -0.130119
H -5.250620 1.780227 0.016103


