%chk=000159297.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159297

0 1
 O   0.4808000      -3.184300      0.2191000    
 O    2.866500      -2.376600      0.1536000    
 O    1.332600       2.727600     -0.2115000    
 O   -3.658100       2.039100       1.136000    
 O    5.339400      -1.731400      9.1499999E-02
 O   -3.731800       2.057000      -1.164700    
 C   -1.662900     -0.2091000      1.5900001E-02
 C   -1.258000      -1.560300      0.1117000    
 C    1.075100     -0.8552000      4.9100000E-02
 C   0.6761000      0.4766000     -4.5899998E-02
 C   0.1123000      -1.869400      0.1272000    
 C   -3.033800      9.7199999E-02  3.0000001E-04
 C  -0.6870000      0.7985000     -6.1999999E-02
 C   -3.991300     -0.9143000      7.7699997E-02
 C    3.515500     -0.1304000     -1.7600000E-02
 C    2.509700      -1.208700      6.7800000E-02
 C    3.115600       1.203900     -0.1136000    
 C    1.681400       1.556300     -0.1304000    
 C   -2.235600      -2.566100      0.1887000    
 C   -3.592900      -2.244000      0.1717000    
 C   -5.454100     -0.6070000      6.0600001E-02
 C    4.878000     -0.4518000     -2.4000001E-03
 C    4.078400       2.217100     -0.1948000    
 C   -3.504300       1.479200     -9.9399999E-02
 C   -6.003400     -0.5924000      -1.337100    
 C    5.834000      0.5610000     -8.3099999E-02
 C    5.435100       1.892700     -0.1792000    
 C   -4.117200       3.394700       1.170700    
 H  -0.9801000       1.843200     -0.1366000    
 H   -1.981900      -3.618800      0.2802000    
 H   -4.326900      -3.043300      0.2341000    
 H   -5.991600      -1.362200      0.6493000    
 H   -5.675700      0.3393000      0.5661000    
 H    3.793100       3.263000     -0.2703000    
 H   -5.867200      -1.560100      -1.832800    
 H   -5.522300      0.1674000      -1.961000    
 H   -7.077000     -0.3772000      -1.321100    
 H    6.893700      0.3197000     -7.1400002E-02
 H    6.181400       2.679400     -0.2420000    
 H  -9.7499996E-02  -3.720600     -0.3478000    
 H    4.604300      -2.359800      0.1439000    
 H   -3.402400       4.047900      0.6615000    
 H   -4.192100       3.702100       2.217000    
 H   -5.106400       3.469600      0.7095000    


%chk=000159297-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159297

0 1
O 0.523657 -3.276141 0.099841
O 3.011629 -2.431350 0.060430
O 1.179455 2.789655 -0.040992
O -3.050133 2.245676 1.042599
O 5.385300 -1.648843 0.010457
O -4.450095 1.948502 -0.788161
C -1.734285 -0.255522 0.071101
C -1.312563 -1.638083 0.075837
C 1.088780 -0.937172 0.045278
C 0.631598 0.436614 0.019443
C 0.104013 -1.955126 0.075705
C -3.148993 0.050992 0.064616
C -0.725227 0.754788 0.038484
C -4.119418 -0.974778 0.042887
C 3.486388 -0.091687 -0.003562
C 2.539493 -1.221100 0.035919
C 3.051184 1.269559 -0.031867
C 1.597341 1.586442 -0.019394
C -2.313801 -2.658871 0.069407
C -3.667442 -2.333436 0.053839
C -5.620448 -0.731040 0.001041
C 4.900521 -0.367289 -0.015170
C 3.987004 2.323260 -0.070641
C -3.620135 1.478926 0.028056
C -6.180232 -0.800225 -1.447128
C 5.831835 0.706153 -0.054364
C 5.374073 2.034638 -0.081758
C -3.435665 3.681374 1.061330
H -0.989961 1.813403 0.035392
H -2.050740 -3.725363 0.071863
H -4.418655 -3.131178 0.052272
H -6.120027 -1.500486 0.620630
H -5.878313 0.251778 0.429695
H 3.613118 3.350744 -0.091587
H -5.948447 -1.770726 -1.923072
H -5.744153 0.006817 -2.058586
H -7.278008 -0.676493 -1.437950
H 6.897947 0.461964 -0.062366
H 6.100615 2.853478 -0.112056
H -0.242694 -3.902336 0.149321
H 4.548220 -2.275109 0.036585
H -3.141627 4.164667 0.114922
H -2.884261 4.103525 1.911980
H -4.525353 3.778898 1.198227


