%chk=000155728.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155728

0 1
 O    2.542700       1.644900      0.4386000    
 O   -4.729400      0.3616000     -0.3344000    
 O   -7.068000      0.4970000     -0.7087000    
 C    6.377700     -0.3019000     -9.3999997E-02
 C    7.652300      0.5475000     -5.5000000E-02
 C    5.098000      0.5120000      0.1248000    
 C    8.955000     -0.1953000     -0.3610000    
 C    3.837500     -0.3442000     -7.4000000E-03
 C    10.19380      0.6804000     -0.2585000    
 C    2.552700      0.4373000      0.2145000    
 C    1.290000     -0.3514000      0.1040000    
 C   0.1011000      0.2418000      0.2819000    
 C   -1.199000     -0.4451000      0.1851000    
 C   -2.363100      0.2924000     -3.0700000E-02
 C   -1.265600      -1.832900      0.3085000    
 C   -3.593600     -0.3578000     -0.1234000    
 C   -2.496100      -2.483200      0.2158000    
 C   -3.660000      -1.745700     -9.9999997E-05
 C   -5.960800     -0.3636000     -0.4203000    
 C   -7.550200       1.159600      0.4530000    
 C   -8.714800       2.046500      6.7199998E-02
 H    6.445000      -1.088500      0.6672000    
 H    6.320000     -0.8060000      -1.066600    
 H    7.548000       1.372700     -0.7711000    
 H    7.732400       1.009200      0.9375000    
 H    5.057400       1.331700     -0.6035000    
 H    5.127000      0.9772000       1.117900    
 H    9.059800      -1.038400      0.3320000    
 H    8.900200     -0.6194000      -1.370600    
 H    3.797900     -0.7833000      -1.011100    
 H    3.870800      -1.156900      0.7276000    
 H    11.09160      9.7999997E-02 -0.4876000    
 H    10.30050       1.088900      0.7514000    
 H    10.13990       1.516200     -0.9631000    
 H    1.405100      -1.400700     -0.1402000    
 H   4.7100000E-02   1.305400      0.5021000    
 H   -2.323800       1.375100     -0.1299000    
 H  -0.3892000      -2.445700      0.4970000    
 H   -4.580300      -2.316200     -6.0300000E-02
 H   -2.547900      -3.563600      0.3166000    
 H   -6.166200     -0.9165000      0.5051000    
 H   -5.914100      -1.056300      -1.268100    
 H   -7.882600      0.4208000       1.190800    
 H   -6.750700       1.766400      0.8920000    
 H   -8.405800       2.785100     -0.6798000    
 H   -9.517700       1.454300     -0.3841000    
 H   -9.111800       2.572300      0.9400000    


%chk=000155728-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155728

0 1
O 2.383379 1.559821 -0.287405
O -4.837994 0.150810 -0.428437
O -7.154411 0.571021 -0.458084
C 6.385601 -0.214618 -0.016918
C 7.607767 0.730987 -0.032092
C 5.039071 0.538632 -0.087584
C 8.960204 -0.015033 0.028992
C 3.827150 -0.408203 -0.062800
C 10.174984 0.938033 0.017199
C 2.472490 0.299679 -0.161357
C 1.270527 -0.578632 -0.104779
C 0.005493 -0.062379 -0.199935
C -1.268381 -0.792873 -0.160983
C -2.469338 -0.050714 -0.298157
C -1.351740 -2.209141 0.009064
C -3.730360 -0.692590 -0.271383
C -2.606179 -2.840068 0.034350
C -3.806550 -2.099432 -0.104913
C -6.193721 -0.457193 -0.328972
C -7.185094 1.524084 0.682823
C -8.366341 2.461098 0.449514
H 6.417303 -0.836005 0.903315
H 6.460884 -0.921041 -0.870903
H 7.576106 1.356744 -0.948407
H 7.538736 1.433652 0.824528
H 4.997747 1.156333 -1.005149
H 4.959821 1.252182 0.755329
H 8.989122 -0.642205 0.943724
H 9.029025 -0.714775 -0.829206
H 3.888793 -1.141640 -0.896477
H 3.828918 -1.023514 0.862967
H 11.129275 0.381350 0.061423
H 10.145207 1.627809 0.881866
H 10.185120 1.554716 -0.901441
H 1.448163 -1.655593 0.013644
H -0.054850 1.030066 -0.320892
H -2.439899 1.036188 -0.431405
H -0.440950 -2.805711 0.118963
H -4.766385 -2.624164 -0.090653
H -2.666456 -3.926616 0.162014
H -6.259126 -0.984577 0.651443
H -6.356079 -1.149162 -1.175086
H -7.299049 0.948927 1.627649
H -6.225799 2.072874 0.714443
H -8.244998 3.000519 -0.505281
H -9.314203 1.897386 0.411953
H -8.430179 3.204671 1.264597


