%chk=000079878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079878

0 1
 O  -0.5650000      -2.329000       1.554300    
 O    1.595900      -1.008900       2.169900    
 O    2.957600      -1.630700      -2.381900    
 O    2.260800      -2.399200     -0.3593000    
 N   -4.027800      0.3791000     -0.3923000    
 C   -2.685600      0.2127000      7.7000000E-03
 C   -4.464200       1.620700     -0.9994000    
 C   -4.985200     -0.6945000     -0.2140000    
 C   -2.275200     -0.9860000      0.5912000    
 C  -6.5200001E-02 -0.1124000      0.7887000    
 C   -1.768500       1.246800     -0.1803000    
 C  -0.9476000      -1.150400      0.9869000    
 C  -0.4412000       1.082400      0.2153000    
 C   -4.747600       2.677500      5.4699998E-02
 C   -4.878800      -1.716300      -1.333300    
 C    1.359500     -0.2675000       1.206300    
 C    2.450300      0.4157000      0.5233000    
 C    3.108800     -0.1708000     -0.5576000    
 C    2.832500       1.680700      0.9697000    
 C    4.149300      0.5081000      -1.192100    
 C    3.873000       2.359400      0.3353000    
 C    4.531400       1.773100     -0.7455000    
 C    2.732700      -1.490500      -1.047700    
 H   -3.765200       1.986200      -1.760300    
 H   -5.394700       1.448600      -1.556500    
 H   -4.914600      -1.165100      0.7730000    
 H   -6.003100     -0.2825000     -0.2361000    
 H   -2.949200      -1.819000      0.7586000    
 H   -2.022700       2.201600     -0.6268000    
 H   0.2421000       1.909700      6.0699999E-02
 H   -5.516700       2.331900      0.7541000    
 H   -3.862500       2.935500      0.6427000    
 H   -5.113100       3.593700     -0.4201000    
 H   -5.045000      -1.244400      -2.307900    
 H   -3.900200      -2.203200      -1.367500    
 H   -5.636400      -2.495900      -1.204100    
 H    2.330400       2.148200       1.813100    
 H    4.691300      7.3700003E-02  -2.028000    
 H    4.171500       3.343800      0.6838000    
 H   -1.331200      -2.925800       1.602900    
 H    5.343600       2.300600      -1.237000    
 H    2.701200      -2.521300      -2.703600    


%chk=000079878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079878

0 1
O -0.695248 -2.396644 1.979888
O 1.908868 -1.479836 1.973032
O 3.332899 -0.938653 -2.904610
O 1.822230 -1.836900 -1.393751
N -4.021370 0.299968 -0.388628
C -2.697292 0.064878 -0.017234
C -4.382761 1.387685 -1.322317
C -5.133656 -0.526171 0.123546
C -2.339523 -1.050332 0.801043
C 0.062583 -0.432574 0.763342
C -1.634328 0.933270 -0.438218
C -1.003932 -1.290875 1.184948
C -0.315482 0.669217 -0.058164
C -4.603877 2.751226 -0.626827
C -5.398715 -1.798530 -0.715914
C 1.479555 -0.639726 1.124420
C 2.520943 0.311442 0.522096
C 3.111522 0.153421 -0.767444
C 2.994150 1.351790 1.359904
C 4.142981 1.035063 -1.192123
C 4.010460 2.231424 0.929433
C 4.587670 2.074249 -0.353327
C 2.671755 -0.953687 -1.658039
H -3.606611 1.476280 -2.104122
H -5.310103 1.086164 -1.844977
H -4.938309 -0.794567 1.178401
H -6.043361 0.103415 0.133367
H -3.105673 -1.760666 1.132222
H -1.841779 1.816707 -1.046171
H 0.469979 1.353808 -0.395860
H -5.413329 2.683855 0.122456
H -3.689086 3.084465 -0.107105
H -4.884877 3.522728 -1.367586
H -5.654456 -1.534731 -1.758005
H -4.509243 -2.451573 -0.743611
H -6.241988 -2.374211 -0.291174
H 2.561467 1.461374 2.359962
H 4.584875 0.884469 -2.180573
H 4.354701 3.031678 1.594084
H -1.513382 -2.928475 2.158549
H 5.381371 2.749880 -0.689349
H 3.005770 -1.714005 -3.434663


