%chk=000085516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085516

0 1
 O   0.2872000       1.363400      1.5000000E-03
 O   -2.011400       2.413500      1.1000000E-03
 O   -4.423500      -2.354200      1.3000000E-03
 O   -6.742300      -1.289100     -6.0000003E-04
 O    5.992300     -0.7939000     -6.9999998E-04
 O    7.885400      0.4269000     -9.9999997E-05
 O    5.864400       1.535400     -6.0000003E-04
 N   -2.175100      -3.633000     -6.0000003E-04
 N   -4.257300       3.691200     -9.9999997E-05
 C   -1.764700      8.2999997E-02  3.9999999E-04
 C   -2.390200      -1.165600      5.0000002E-04
 C   -4.041200       1.223300      9.9999997E-05
 C   -4.666700     -2.5300000E-02  1.9999999E-04
 C   -2.567500       1.323000      1.9999999E-04
 C   -3.864000      -1.265400      3.9999999E-04
 C  -0.3670000      0.1638000      3.0000001E-04
 C   0.3988000      -1.002300      1.9999999E-04
 C   -1.617900      -2.333400      3.9999999E-04
 C  -0.2253000      -2.248300      3.0000001E-04
 C   -4.813400       2.391100     -5.0000002E-04
 C   -6.064400     -0.1061000     -1.9999999E-04
 C    1.848000     -0.9473000     -3.9999999E-04
 C   -6.206100       2.306100     -7.9999998E-04
 C   -6.830200       1.060200     -6.9999998E-04
 C    2.541100     -0.9208000      -1.208400    
 C    2.541700     -0.9220000       1.207600    
 C    3.935100     -0.8688000      -1.208600    
 C    3.935500     -0.8701000       1.207300    
 C    4.632300     -0.8435000     -6.9999998E-04
 C    6.524400      0.5039000     -6.9999998E-04
 C    8.575000       1.681000      6.0000003E-04
 C    10.06690       1.423400      1.3000000E-03
 H   0.3738000      -3.157700       0.000000    
 H   -6.820700       3.203100     -1.1000000E-03
 H   -7.915800       1.005600     -1.0000000E-03
 H   -1.567700      -4.442100      8.9999998E-04
 H   -3.175900      -3.767500      1.3000000E-03
 H    2.012700     -0.9399000      -2.158600    
 H    2.013500     -0.9421000       2.157900    
 H  -0.3325000       2.101000      9.5500000E-02
 H   -3.256600       3.826600     -1.2000001E-03
 H   -4.865500       4.499600     -1.6000000E-03
 H    4.471800     -0.8491000      -2.153200    
 H    4.472500     -0.8511000       2.151900    
 H   -6.128400      -2.038200     -1.3000000E-03
 H    8.298100       2.250600     -0.8935000    
 H    8.297300       2.250000      0.8949000    
 H    10.62600       2.363200      1.8000000E-03
 H    10.35660      0.8390000      0.8807000    
 H    10.35740      0.8395000     -0.8783000    


%chk=000085516-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085516

0 1
O -0.023141 1.584746 -0.584340
O -2.287882 2.502955 -0.614577
O -4.471521 -2.458922 0.631585
O -6.766074 -1.520374 0.594366
O 6.086931 -0.420990 -0.569658
O 8.135403 0.348509 -0.171726
O 6.347987 1.342413 0.985483
N -2.071159 -3.484648 0.685288
N -4.678511 3.537602 -0.664157
C -1.947236 0.167431 -0.132742
C -2.494732 -1.123065 0.199800
C -4.261351 1.169480 -0.177817
C -4.802275 -0.127259 0.145803
C -2.827405 1.320878 -0.317046
C -3.927430 -1.280594 0.335524
C -0.534407 0.351700 -0.277202
C 0.369514 -0.759922 -0.077214
C -1.595714 -2.230022 0.382346
C -0.189090 -2.009051 0.236761
C -5.154734 2.285213 -0.355434
C -6.213202 -0.303854 0.287842
C 1.847768 -0.612063 -0.181684
C -6.569172 2.069345 -0.203879
C -7.084118 0.813864 0.107884
C 2.453660 0.271023 -1.119528
C 2.697440 -1.393823 0.652583
C 3.855502 0.352741 -1.235271
C 4.099791 -1.313995 0.550884
C 4.661357 -0.440159 -0.398138
C 6.812157 0.518770 0.173204
C 9.089234 1.271555 0.526743
C 10.476181 0.941758 -0.010573
H 0.478086 -2.871955 0.345721
H -7.249145 2.918681 -0.339029
H -8.159593 0.650677 0.222750
H -1.432674 -4.266747 0.811249
H -3.097235 -3.579279 0.773650
H 1.821365 0.896130 -1.752069
H 2.259458 -2.045560 1.416194
H -0.866565 2.238150 -0.652545
H -3.653609 3.631443 -0.760491
H -5.317089 4.320225 -0.787167
H 4.321113 1.022998 -1.964066
H 4.751046 -1.908817 1.198287
H -5.951370 -2.185960 0.679841
H 8.784670 2.311645 0.311900
H 9.001803 1.099486 1.614713
H 11.226368 1.592948 0.473819
H 10.740456 -0.108764 0.197714
H 10.525645 1.104056 -1.100483


