%chk=000085057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085057

0 1
 O    4.781300       1.472800       0.000000    
 O   -3.532100     -0.9371000      1.0000000E-03
 O    2.965600      3.4299999E-02  1.2000001E-03
 O   -3.902300       1.349500      3.0000001E-04
 O    8.454800      -3.541800      -1.098200    
 O    8.460000      -3.538500       1.097100    
 O   -9.701200      -1.699400      -1.098500    
 O   -9.701400      -1.703700       1.096800    
 N    2.694100       2.363900      9.9999997E-05
 N   -1.735100      0.4519000      6.9999998E-04
 N    8.098500      -3.049400     -5.0000002E-04
 N   -9.097900      -1.627600     -6.0000003E-04
 C    1.308100       2.540400      3.0000001E-04
 C   0.7502000       3.818900     -5.0000002E-04
 C  -0.9062000       1.574200      1.9999999E-04
 C   0.4799000       1.418100      7.9999998E-04
 C  -0.6359000       3.975100     -7.9999998E-04
 C   -1.464000       2.852700     -6.0000003E-04
 C    1.613000       5.038900     -7.9999998E-04
 C    3.416500       1.174100      3.0000001E-04
 C   -3.127300      0.4000000      3.9999999E-04
 C    5.608300      0.3448000      9.9999997E-05
 C   -4.920300      -1.109000      1.0000000E-03
 C    6.020300     -0.2178000      -1.207900    
 C    6.022600     -0.2165000       1.208000    
 C   -5.611800      -1.195300      -1.207300    
 C   -5.612700      -1.196000       1.208600    
 C    7.260600      -1.902900     -3.0000001E-04
 C   -7.688300      -1.455300     -1.9999999E-04
 C    6.846500      -1.341600      -1.208200    
 C    6.848700      -1.340400       1.207700    
 C   -6.995900      -1.368500      -1.208000    
 C   -6.996700      -1.369000       1.208100    
 H   0.8472000      0.4015000      1.5000000E-03
 H   -1.086300       4.964300     -1.4000000E-03
 H   -2.526700       3.052000     -1.0000000E-03
 H    2.244000       5.064900      0.8938000    
 H    2.244000       5.064400     -0.8955000    
 H    1.016500       5.958000     -1.2000001E-03
 H    3.262200       3.206100     -3.9999999E-04
 H   -1.263600     -0.4495000      1.2000001E-03
 H    5.701000      0.2160000      -2.151700    
 H    5.705100      0.2181000       2.152000    
 H   -5.077200      -1.128800      -2.150900    
 H   -5.078800      -1.130100       2.152700    
 H    7.147200      -1.753100      -2.168400    
 H    7.151000      -1.751100       2.167700    
 H   -7.501500      -1.431100      -2.168200    
 H   -7.503000      -1.431800       2.167900    


%chk=000085057-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085057

0 1
O 4.737442 1.304281 -0.000021
O -3.742678 -0.716067 -0.000758
O 2.839772 -0.123218 -0.001533
O -4.081965 1.635485 -0.001066
O 8.909285 -3.395638 -1.139077
O 8.915605 -3.389099 1.142318
O -9.878875 -2.074116 -1.139596
O -9.876060 -2.083421 1.141655
N 2.687760 2.248752 -0.000782
N -1.929494 0.628695 -0.001306
N 8.503714 -2.946931 0.001475
N -9.288269 -1.940687 0.000864
C 1.284766 2.500735 -0.000796
C 0.863523 3.866513 -0.000534
C -1.041210 1.742796 -0.001037
C 0.343381 1.447560 -0.001038
C -0.526280 4.116187 -0.000558
C -1.489404 3.086099 -0.000805
C 1.865728 5.007854 -0.000277
C 3.323112 1.027712 -0.001261
C -3.305767 0.659051 -0.001538
C 5.631425 0.198492 0.000422
C -5.141498 -0.966118 -0.000245
C 6.088566 -0.313214 -1.232701
C 6.095420 -0.306119 1.233889
C -5.811347 -1.117650 -1.233259
C -5.808395 -1.127374 1.233122
C 7.501064 -1.852053 0.001112
C -7.843374 -1.601985 0.000463
C 7.037318 -1.352999 -1.236333
C 7.044237 -1.345857 1.238224
C -7.181274 -1.440377 -1.236992
C -7.178312 -1.450201 1.237566
H 0.697978 0.412615 -0.001247
H -0.870328 5.156765 -0.000371
H -2.556870 3.312630 -0.000821
H 2.518978 4.995045 0.895670
H 2.519016 4.995404 -0.896200
H 1.344473 5.978731 -0.000088
H 3.309855 3.059653 -0.000306
H -1.513073 -0.305649 -0.001306
H 5.704779 0.103503 -2.168226
H 5.716838 0.116050 2.169088
H -5.260358 -0.983939 -2.168472
H -5.255128 -1.001061 2.168017
H 7.420041 -1.779668 -2.166754
H 7.432191 -1.767126 2.168940
H -7.740248 -1.566609 -2.167461
H -7.735060 -1.583833 2.168336


