%chk=000130972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130972

0 1
 O  -0.8087000      -3.546000      0.9228000    
 O   0.3010000      0.1719000      -2.605000    
 O   -7.378800       1.746300      2.9400000E-02
 N   -1.089500      -1.454000     -7.4199997E-02
 N    1.522900      -1.189700      -1.249400    
 N   -2.442200       1.177000      0.4396000    
 N    5.307100       1.058700      8.8399999E-02
 N   -3.317200       2.197600      0.1080000    
 N    7.527700       1.565600      0.8514000    
 N    6.039300       3.234200      0.4094000    
 N   -5.274200      0.8439000      0.4566000    
 N   -7.171100     -0.3959000      0.7718000    
 C    1.999400      -1.778100      9.3000000E-03
 C   0.9811000      -1.989800       1.137300    
 C  -0.5172000     -0.1235000     -0.3581000    
 C    3.186200     -0.9652000      0.5266000    
 C  -0.3891000      -2.418000      0.6597000    
 C   0.4544000     -0.3575000      -1.502300    
 C    4.422800      -1.180400     -0.3439000    
 C   -1.543500      0.9610000     -0.6834000    
 C   -2.368500      -1.818500     -0.6777000    
 C    5.618700     -0.3704000      0.1438000    
 C    6.252600       1.876100      0.4340000    
 C   -4.663500       1.933800      0.1194000    
 C   -6.649700      0.8211000      0.3863000    
 H    2.351100      -2.776900     -0.2824000    
 H    1.360900      -2.768900       1.812000    
 H   0.8749000      -1.103700       1.773200    
 H   6.6100001E-02  0.2297000      0.4971000    
 H    3.431900      -1.275000       1.550600    
 H    2.918600      9.7599998E-02  0.5684000    
 H    2.120500      -1.361800      -2.052200    
 H    4.209900     -0.8977000      -1.381400    
 H    4.693200      -2.243200     -0.3477000    
 H   -1.006200       1.890800     -0.9173000    
 H   -2.114500      0.7017000      -1.584300    
 H   -2.334600      -1.611600      -1.751100    
 H   -2.579200      -2.883500     -0.5453000    
 H   -3.176600      -1.257900     -0.2049000    
 H    6.475600     -0.5994000     -0.5014000    
 H    5.865600     -0.6700000       1.169700    
 H   -1.907900       1.461600       1.259700    
 H   -2.946200       3.111400     -0.1317000    
 H   -5.223600       2.827500     -0.2078000    
 H    8.188700       2.294500       1.098100    
 H    7.853400      0.6089000      0.9302000    
 H    6.765000       3.890100      0.6766000    
 H    5.145500       3.618800      0.1232000    
 H   -8.171200     -0.5652000      0.7727000    
 H   -6.570000      -1.158500       1.065500    


%chk=000130972-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130972

0 1
O -0.772079 -3.022834 1.416658
O 0.182851 0.712717 -2.458298
O -7.793008 0.844266 -0.385111
N -1.234377 -1.057191 0.235781
N 1.467242 -0.585370 -1.051820
N -2.804199 1.497325 0.407790
N 5.778320 0.806020 0.298710
N -3.937749 2.258024 0.064642
N 8.192320 0.926174 0.563916
N 6.872351 2.866311 0.577834
N -5.464971 0.435246 0.152254
N -7.027223 -1.269384 0.250444
C 1.935009 -1.358747 0.136899
C 0.971144 -1.311306 1.348823
C -0.750039 0.274163 -0.213971
C 3.352821 -0.891387 0.556496
C -0.422059 -1.865295 1.022790
C 0.331209 0.149560 -1.326745
C 4.447094 -1.101186 -0.511448
C -1.873399 1.207679 -0.704647
C -2.523179 -1.589748 -0.259570
C 5.831834 -0.637288 -0.006999
C 6.899058 1.467015 0.477403
C -5.190584 1.700306 -0.067143
C -6.850624 0.071525 -0.025676
H 1.998172 -2.422113 -0.182418
H 1.386349 -1.979544 2.120393
H 0.946331 -0.292359 1.778376
H -0.267518 0.774854 0.651129
H 3.636153 -1.459858 1.466548
H 3.335910 0.179397 0.832526
H 2.107524 -0.613316 -1.853327
H 4.219011 -0.516588 -1.424773
H 4.501467 -2.172264 -0.796838
H -1.388672 2.111847 -1.133209
H -2.442237 0.737879 -1.522483
H -2.495676 -1.727329 -1.357821
H -2.659141 -2.574195 0.215357
H -3.356016 -0.919815 0.016158
H 6.596913 -0.879588 -0.783788
H 6.090654 -1.234800 0.900055
H -2.369253 1.821124 1.280199
H -3.821508 3.231409 -0.247223
H -5.963534 2.429720 -0.377159
H 9.006182 1.495501 0.342883
H 8.311002 -0.081654 0.605348
H 7.529606 3.339691 1.195925
H 5.954412 3.288259 0.448559
H -7.954900 -1.677524 0.169564
H -6.228094 -1.825824 0.546305


