%chk=000100129.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100129

0 1
 O    1.265400     -6.9100000E-02  -2.014000    
 O    5.425500     -0.6244000      0.1515000    
 O   -2.483600     -4.4399999E-02  0.1197000    
 O    6.187800       1.047300      -1.166200    
 O  -0.6684000      0.5419000       1.398800    
 N    2.862200     -0.1291000     -0.3290000    
 N  -0.5312000      -1.104800     -0.2306000    
 C    1.144600      -2.903200     -0.4667000    
 C   0.8564000      -1.451300     -6.4000003E-02
 C   0.3418000      -3.963000      0.3149000    
 C    3.460300       2.263100     -0.5545000    
 C    3.793000      0.8076000     -0.9163000    
 C    3.188700       2.589600      0.9316000    
 C    1.665900     -0.4927000     -0.9316000    
 C   0.6294000      -5.385200     -0.1682000    
 C   0.6584000      -3.851900       1.808900    
 C    4.429900       2.238200       1.760600    
 C    2.805900       4.046200       1.183600    
 C    5.247300      0.4495000     -0.6544000    
 C   -1.178500     -0.1375000      0.5141000    
 C   -3.277500      0.9256000      0.8121000    
 C   -4.673100      0.8993000      0.2618000    
 C   -5.015100       1.721300     -0.8120000    
 C   -5.628700      5.2400000E-02  0.8237000    
 C   -6.312500       1.696800      -1.323700    
 C   -6.926000      2.7799999E-02  0.3118000    
 C   -7.267900      0.8500000     -0.7620000    
 H    2.219100      -3.101300     -0.3547000    
 H   0.9293000      -3.027700      -1.537100    
 H    1.125700      -1.280400      0.9841000    
 H  -0.7307000      -3.780400      0.1750000    
 H    4.254100       2.923700     -0.9275000    
 H    2.555400       2.543300      -1.111600    
 H    3.685500      0.7067000      -2.005200    
 H    2.354000       1.971600       1.285300    
 H    3.104200     -0.5281000      0.5733000    
 H   0.3887000      -5.486800      -1.231500    
 H   2.7500000E-02  -6.115400      0.3830000    
 H    1.685300      -5.643300     -3.3900000E-02
 H   0.2900000      -2.912700       2.232100    
 H   0.1729000      -4.660300       2.367000    
 H    1.735600      -3.916700       1.995900    
 H   -1.058200      -1.558600     -0.9712000    
 H    4.569300       1.157800       1.837900    
 H    4.321600       2.604500       2.788100    
 H    5.336900       2.688600       1.343900    
 H    3.612000       4.724300      0.8840000    
 H    1.910900       4.312200      0.6116000    
 H    2.590100       4.219400       2.243100    
 H    6.375200     -0.8356000      0.2765000    
 H   -3.289300      0.6965000       1.885000    
 H   -2.838700       1.922900      0.6835000    
 H   -4.279000       2.383700      -1.259700    
 H   -5.373900     -0.5943000       1.659100    
 H   -6.578600       2.336400      -2.160100    
 H   -7.669900     -0.6319000      0.7488000    
 H   -8.277900      0.8306000      -1.160700    


%chk=000100129-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100129

0 1
O 2.717094 -1.293737 -1.758500
O 3.544048 1.109798 2.225410
O -2.060581 -1.150610 0.919106
O 4.698694 2.616811 0.889946
O 0.004328 -0.646532 1.961520
N 2.342243 -0.123691 0.219480
N -0.133056 -1.955681 0.024661
C 1.480293 -3.657749 -0.784141
C 1.294411 -2.342718 -0.003163
C 0.729091 -4.883295 -0.200298
C 2.471702 2.039654 -1.108263
C 3.193619 0.997705 -0.191416
C 1.133766 2.618955 -0.583621
C 2.176612 -1.210170 -0.610835
C 0.906951 -6.096230 -1.144671
C 1.202354 -5.232263 1.231464
C 1.296993 3.461414 0.705058
C 0.474328 3.462253 -1.701977
C 3.890904 1.668931 0.986611
C -0.665083 -1.201521 1.037930
C -2.788295 -0.328263 1.947629
C -3.228192 0.999668 1.374454
C -2.360669 2.121385 1.414670
C -4.513637 1.141436 0.793587
C -2.772857 3.361760 0.879719
C -4.927597 2.381350 0.258067
C -4.057032 3.495060 0.301190
H 2.564512 -3.875736 -0.819062
H 1.181386 -3.489371 -1.837616
H 1.608659 -2.471886 1.049863
H -0.355265 -4.647038 -0.150281
H 3.187596 2.861188 -1.306359
H 2.285675 1.523083 -2.068614
H 4.002242 0.567917 -0.818659
H 0.456577 1.768530 -0.358822
H 1.850327 -0.102125 1.124644
H 0.544917 -5.870286 -2.165239
H 0.350920 -6.976245 -0.772258
H 1.974518 -6.378824 -1.221769
H 0.995003 -4.418562 1.950398
H 0.689802 -6.138887 1.602422
H 2.291614 -5.430896 1.244352
H -0.759718 -2.297459 -0.705716
H 1.609655 2.848219 1.569730
H 0.338293 3.942635 0.975213
H 2.048033 4.261356 0.562383
H 1.100926 4.338894 -1.957458
H 0.332424 2.867211 -2.623335
H -0.517157 3.832999 -1.382701
H 4.035414 1.585697 2.948556
H -3.648202 -0.961773 2.218109
H -2.113536 -0.203248 2.811821
H -1.366280 2.015185 1.864913
H -5.189957 0.278354 0.760261
H -2.100210 4.225936 0.921372
H -5.924057 2.480981 -0.186399
H -4.377443 4.459129 -0.109465


