%chk=000041601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041601

0 1
 O   -1.357200      0.2507000      1.1600000E-02
 O    3.300800      9.2299998E-02 -0.7367000    
 O   -1.022500       2.450500      0.5396000    
 N   -4.875200     -0.8152000      0.2852000    
 N   0.7391000       1.046400     -9.7300000E-02
 C   -5.520800      -2.130300      0.1683000    
 C   -5.493100      0.1624000     -0.6217000    
 C   -7.013300      -2.043100      0.4912000    
 C   -6.984600      0.3245000     -0.3247000    
 C   -7.711900      -1.013800     -0.3898000    
 C   -3.440900     -0.9239000      1.9700000E-02
 C   -2.747400      0.4068000      0.2644000    
 C    5.139700      -3.012100      0.3274000    
 C    4.213500      -2.111700     -0.4871000    
 C    5.213000      -4.418100     -0.2675000    
 C    4.167600     -0.6976000      7.4199997E-02
 C  -0.5744000       1.366600      0.1861000    
 C    1.871200       1.891200     -4.6999998E-02
 C    3.124400       1.393100     -0.3689000    
 C    6.160500      -5.308000      0.5212000    
 C    1.699100       3.215400      0.3271000    
 C    4.232100       2.239100     -0.3154000    
 C    2.807000       4.061400      0.3806000    
 C    4.073400       3.573300      5.9400000E-02
 H   -5.060900      -2.834200      0.8725000    
 H   -5.386200      -2.543200     -0.8403000    
 H   -5.353500     -0.1297000      -1.670800    
 H   -5.071500       1.163100     -0.4967000    
 H   -7.479900      -3.025000      0.3534000    
 H   -7.145700      -1.771300       1.546200    
 H   -7.116200      0.7632000      0.6727000    
 H   -7.432100       1.022000      -1.041900    
 H   -7.729200      -1.370900      -1.426900    
 H   -8.753500     -0.8920000     -7.3100001E-02
 H   -2.988200      -1.671800      0.6838000    
 H   -3.240200      -1.267700      -1.003900    
 H   -3.098800       1.188300     -0.4140000    
 H   -2.895700      0.7308000       1.301700    
 H    6.145100      -2.574400      0.3554000    
 H    4.782700      -3.067700       1.363000    
 H    4.543700      -2.074400      -1.532900    
 H    3.198900      -2.528800     -0.5077000    
 H    4.214800      -4.871100     -0.2757000    
 H    5.554100      -4.365500      -1.308000    
 H    5.180400     -0.2795000      7.6600000E-02
 H    3.789300     -0.7121000       1.103700    
 H   0.9197000      8.5199997E-02 -0.3770000    
 H    7.175900      -4.899100      0.5193000    
 H    5.831600      -5.407000       1.560600    
 H    6.196600      -6.308700      7.9499997E-02
 H   0.7554000       3.669700      0.5899000    
 H    5.224200       1.884300     -0.5798000    
 H    2.684700       5.100800      0.6712000    
 H    4.935100       4.233200      9.6900001E-02


%chk=000041601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041601

0 1
O -1.366704 0.391177 0.216283
O 3.080841 0.047852 0.122002
O -1.091354 2.727116 0.368410
N -4.940047 -0.709069 0.099684
N 0.734055 1.219431 0.228534
C -5.577443 -1.971853 0.553766
C -5.539732 -0.225382 -1.171122
C -7.091410 -1.775962 0.772311
C -7.053017 0.024729 -1.010493
C -7.768292 -1.253263 -0.515281
C -3.461759 -0.792348 0.044271
C -2.837776 0.585451 0.300837
C 5.294814 -3.058282 -0.027467
C 4.019856 -2.183192 -0.010163
C 4.982903 -4.569360 -0.126570
C 4.354509 -0.693014 0.080561
C -0.600185 1.572842 0.280455
C 1.853099 2.085977 0.268092
C 3.134622 1.454529 0.212537
C 6.256101 -5.442325 -0.135351
C 1.778678 3.494831 0.359618
C 4.315797 2.220862 0.249683
C 2.967902 4.259813 0.395746
C 4.229574 3.631503 0.341874
H -5.096003 -2.283489 1.499379
H -5.420264 -2.798468 -0.190287
H -5.375220 -0.970195 -1.995982
H -5.034326 0.710095 -1.472733
H -7.544086 -2.734790 1.091012
H -7.238610 -1.045028 1.590782
H -7.202504 0.841655 -0.278531
H -7.474600 0.358668 -1.978198
H -7.712064 -2.033739 -1.302641
H -8.841392 -1.052555 -0.335653
H -3.113577 -1.484071 0.832963
H -3.087910 -1.192678 -0.929462
H -3.143904 1.340177 -0.444973
H -3.103317 0.959176 1.304841
H 5.938982 -2.764300 -0.882490
H 5.888553 -2.869966 0.891330
H 3.424233 -2.365548 -0.925273
H 3.383365 -2.461501 0.851878
H 4.335818 -4.864016 0.724275
H 4.394147 -4.760085 -1.046585
H 4.942492 -0.361796 -0.800562
H 4.935984 -0.471081 0.999593
H 0.949682 0.220437 0.159891
H 6.905346 -5.189171 -0.994669
H 6.846822 -5.291074 0.787727
H 6.007982 -6.517100 -0.205057
H 0.796278 3.969775 0.402733
H 5.295950 1.737270 0.208336
H 2.899885 5.350396 0.466943
H 5.147929 4.227336 0.370795


