%chk=000153979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153979

0 1
 O    6.375700       1.924600     -1.0100000E-02
 O    5.019700     -0.4912000      0.2277000    
 O  -0.7509000       2.780700      0.3816000    
 O   -5.617600      0.2113000      7.6399997E-02
 O   -5.392500      -1.192800     -0.2697000    
 O   -7.702400      -1.251700     -0.1432000    
 N    2.722000       2.053700     -0.5964000    
 C    5.169800       1.698700     -0.7456000    
 C    4.003000       2.273100      6.1299998E-02
 C    5.038800      0.2015000      -1.016600    
 C    1.625200       2.558900      0.2182000    
 C   0.2885000       2.287900     -0.4537000    
 C    4.298700      -1.654300      0.2734000    
 C   -1.960300       2.140700      0.3059000    
 C    4.165200      -2.428000     -0.8747000    
 C    3.706100      -2.051200       1.467300    
 C   -2.785900       2.096000       1.423600    
 C   -2.350000       1.544500     -0.8878000    
 C   -4.017800       1.446200       1.346400    
 C   -3.582000      0.8948000     -0.9651000    
 C   -4.415900      0.8455000      0.1521000    
 C    3.430000      -3.612500     -0.8283000    
 C    2.971100      -3.235800       1.513700    
 C    2.833100      -4.016400      0.3659000    
 C   -6.619900      -1.788800     -0.3348000    
 C   -6.451700      -3.235500     -0.6875000    
 H    5.261700       2.226700      -1.702200    
 H    4.004700       1.832900       1.067200    
 H    4.172400       3.348300      0.2027000    
 H    2.576700       1.058000     -0.7553000    
 H    4.150800      1.5799999E-02  -1.631200    
 H    5.923400     -0.1390000      -1.568400    
 H    1.626500       2.090000       1.210600    
 H    1.730700       3.638600      0.3816000    
 H   0.2001000       1.203700     -0.6079000    
 H   0.2414000       2.798000      -1.423400    
 H    6.467300       2.884700      0.1141000    
 H    4.640800      -2.167600      -1.815300    
 H    3.810400      -1.445700       2.363100    
 H   -2.479500       2.562600       2.355600    
 H   -1.744800       1.585700      -1.788200    
 H   -4.662900       1.410900       2.220000    
 H   -3.888000      0.4400000      -1.903500    
 H    3.328500      -4.224600      -1.719700    
 H    2.506300      -3.550400       2.443500    
 H    2.262200      -4.939600      0.4025000    
 H   -7.434200      -3.713900     -0.7346000    
 H   -5.973500      -3.325400      -1.666000    
 H   -5.857100      -3.737700      7.9800002E-02


%chk=000153979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153979

0 1
O 6.264910 2.404206 -0.186492
O 4.911273 -0.344301 0.164019
O -1.043972 2.015128 0.692572
O -6.251869 0.858830 -0.969821
O -6.789294 -0.519392 -0.187314
O -8.777988 -0.201048 -1.417637
N 2.582558 1.556905 0.018950
C 4.947358 1.954462 -0.671416
C 3.853038 2.216482 0.392139
C 5.106910 0.478499 -1.042799
C 1.369180 2.078758 0.680989
C 0.138721 1.523395 -0.045124
C 5.112973 -1.731972 0.048335
C -2.308227 1.654048 0.235513
C 5.446273 -2.393545 -1.159776
C 4.951518 -2.468765 1.248268
C -3.395882 2.163571 1.000070
C -2.543636 0.837339 -0.906248
C -4.710761 1.859050 0.628399
C -3.866517 0.532558 -1.271265
C -4.956708 1.058323 -0.526129
C 5.614665 -3.798497 -1.152827
C 5.121026 -3.867059 1.236929
C 5.453450 -4.542246 0.036095
C -8.087471 -0.828954 -0.594446
C -8.510174 -2.092561 0.163792
H 4.678026 2.494675 -1.605095
H 4.251143 1.886572 1.376893
H 3.671991 3.308358 0.449538
H 2.679411 0.539246 0.149482
H 4.350192 0.198093 -1.801773
H 6.123457 0.326091 -1.452375
H 1.294598 1.830053 1.765253
H 1.365305 3.181069 0.599203
H 0.141929 0.413669 -0.040490
H 0.115170 1.881545 -1.091783
H 6.202458 3.347801 0.108933
H 5.576873 -1.839365 -2.093615
H 4.704520 -1.929723 2.168366
H -3.173562 2.788073 1.870200
H -1.713550 0.444816 -1.499864
H -5.564892 2.239389 1.197181
H -4.081860 -0.093402 -2.143139
H 5.873871 -4.308889 -2.087351
H 4.997356 -4.431511 2.167862
H 5.586218 -5.629014 0.031109
H -9.531323 -2.354629 -0.151979
H -7.824656 -2.927493 -0.058880
H -8.490126 -1.916740 1.252549


