%chk=000123804.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123804

0 1
 O   0.7008000       1.545500       1.952700    
 O   0.1656000      -2.017500     -0.9274000    
 O  -0.6349000      -3.262400      0.7928000    
 O    5.686400      -2.325400     -0.5737000    
 N   2.0300001E-02  0.1950000      0.1942000    
 N   0.4964000       3.529300     -0.1797000    
 N   -5.188100     -0.1201000     -0.8033000    
 N   -7.275100      0.1953000      -1.760300    
 N   -7.148600      0.3238000      0.5118000    
 C  -0.5750000     -0.8353000       1.006800    
 C   -2.053700     -0.5680000       1.300800    
 C    1.201800       2.253800     -0.3097000    
 C   -2.940100     -0.4942000      5.1700000E-02
 C    2.705900       2.462600     -8.1000000E-02
 C   0.6192000       1.319500      0.7463000    
 C   -4.387000     -0.1841000      0.4203000    
 C    3.501400       1.184900     -0.2119000    
 C  -0.3546000      -2.169200      0.3186000    
 C    3.719300      0.3805000      0.9066000    
 C    4.017900      0.8096000      -1.452100    
 C    4.453600     -0.7990000      0.7850000    
 C    4.752400     -0.3699000      -1.573700    
 C    4.970200      -1.174100     -0.4552000    
 C   -6.454200      0.1195000     -0.6599000    
 H  -2.1100000E-02 -0.8788000       1.952500    
 H   -2.141500      0.3752000       1.855200    
 H   -2.436100      -1.358700       1.958900    
 H    1.031800       1.856400      -1.316900    
 H   -2.569400      0.2804000     -0.6305000    
 H   -2.900800      -1.442700     -0.4973000    
 H    2.892100       2.893800      0.9126000    
 H    3.096000       3.199100     -0.7967000    
 H  -2.2399999E-02  9.6600004E-02 -0.8160000    
 H   -4.765900     -0.9712000       1.083600    
 H   -4.427900      0.7748000      0.9510000    
 H   0.8667000       4.194900     -0.8571000    
 H  -0.4867000       3.401000     -0.4171000    
 H    3.332400      0.6628000       1.881700    
 H    3.852700       1.427000      -2.331100    
 H    4.621400      -1.420700       1.660300    
 H    5.148800     -0.6514000      -2.545600    
 H   0.2920000      -2.879600      -1.378100    
 H    5.966000      -2.428600      -1.499500    
 H   -6.908300      6.6699997E-02  -2.697100    
 H   -8.267700      0.3827000      -1.669700    
 H   -6.696700      0.3036000       1.419000    
 H   -8.146600      0.5046000      0.5028000    


%chk=000123804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000123804

0 1
O 0.612108 1.122379 1.587583
O -0.485391 -2.516654 -1.358312
O -1.193851 -3.607867 0.566486
O 6.593464 -1.732015 0.053474
N -0.053338 -0.209265 -0.191634
N 0.265980 2.981254 -0.917158
N -5.384277 0.269517 -0.561089
N -7.572717 0.497435 -1.389429
N -7.265156 0.663160 0.932014
C -0.701447 -1.197179 0.680508
C -2.108389 -0.735706 1.181820
C 1.187988 1.853508 -0.720073
C -3.136013 -0.522396 0.053653
C 2.557566 2.389368 -0.216891
C 0.572467 0.902619 0.338440
C -4.464449 0.060643 0.574920
C 3.637627 1.319807 -0.160738
C -0.816898 -2.558404 0.008450
C 3.847074 0.555163 1.019088
C 4.448785 1.039742 -1.288956
C 4.830107 -0.452912 1.074218
C 5.438715 0.032086 -1.252166
C 5.625792 -0.714464 -0.064469
C -6.659261 0.473569 -0.321906
H -0.067346 -1.323316 1.580484
H -1.945495 0.203404 1.742899
H -2.472734 -1.495030 1.900414
H 1.373502 1.261887 -1.653851
H -2.735043 0.171865 -0.708977
H -3.357957 -1.474657 -0.466503
H 2.378262 2.830239 0.779442
H 2.869206 3.206109 -0.898764
H 0.000328 -0.413103 -1.191902
H -4.884669 -0.630928 1.347378
H -4.242615 1.022611 1.095396
H 0.658446 3.794110 -1.395238
H -0.690526 2.751327 -1.192103
H 3.224041 0.754754 1.898077
H 4.316146 1.623916 -2.208407
H 4.996179 -1.039486 1.982729
H 6.060978 -0.163564 -2.135832
H -0.599062 -3.421097 -1.756401
H 7.101877 -1.829850 -0.789541
H -7.161274 0.305620 -2.301695
H -8.361178 1.142594 -1.354736
H -6.679822 0.756522 1.757030
H -8.249028 0.440683 1.066867


