%chk=000154233.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154233

0 1
 O   -3.143800       2.040200      0.4703000    
 N    2.541900       1.412100      1.3100000E-02
 N   -2.113200      0.3068000     -0.6744000    
 N   -4.612700      -2.292300      0.2581000    
 N   0.6380000      0.2661000     -1.8900000E-02
 C   0.3681000       1.615400     -1.0600000E-02
 C    1.546900       2.355700      9.4999997E-03
 C  -0.8643000       2.290200     -1.9400001E-02
 C   -3.283800     -0.5319000     -0.7977000    
 C   -3.412100      -1.476700      0.3881000    
 C    1.949200      0.1803000     -4.3000001E-03
 C   -2.116400       1.556000     -4.0199999E-02
 C    1.575900       3.750600      2.1600001E-02
 C  -0.8595000       3.690700     -7.4000000E-03
 C    2.719900      -1.039600     -5.4000001E-03
 C   0.3401000       4.405900      1.2600000E-02
 C   -4.763100      -3.177600       1.414800    
 C   -4.573400      -3.076000     -0.9782000    
 C    2.214200      -2.182200     -0.6251000    
 C    3.969300      -1.076300      0.6136000    
 C    2.958200      -3.362100     -0.6258000    
 C    4.713100      -2.256300      0.6128000    
 C    4.207600      -3.399100     -7.0000002E-03
 H   -4.169600      0.1072000     -0.8877000    
 H   -3.144300      -1.063600      -1.743100    
 H   -2.509400      -2.097400      0.4700000    
 H   -3.468200     -0.8817000       1.308800    
 H    3.534300       1.607800      1.4000000E-02
 H   -1.253700     -3.9200000E-02  -1.090000    
 H    2.508200       4.303500      3.6899999E-02
 H   -1.794900       4.245900     -1.7899999E-02
 H   0.3141000       5.492800      2.0400001E-02
 H   -4.822100      -2.594400       2.340600    
 H   -3.930900      -3.885200       1.504800    
 H   -5.696200      -3.747800       1.345400    
 H   -4.725900      -2.451000      -1.863400    
 H   -5.400000      -3.797000     -0.9982000    
 H   -3.639700      -3.639900      -1.087900    
 H    1.243700      -2.174400      -1.115400    
 H    4.386600     -0.2079000       1.117000    
 H    2.564900      -4.251900      -1.108600    
 H    5.684700      -2.286600       1.097200    
 H    4.786500      -4.318000     -7.0000002E-03


%chk=000154233-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154233

0 1
O -3.239350 1.880244 -0.292154
N 2.703374 1.478492 0.282240
N -1.896215 -0.006457 -0.597534
N -4.894288 -2.289243 -0.029524
N 0.883947 0.212536 -0.209393
C 0.469730 1.536797 0.044965
C 1.608122 2.351307 0.358080
C -0.835964 2.101287 0.025670
C -3.024951 -0.882155 -0.939014
C -3.798718 -1.357537 0.318792
C 2.228637 0.204210 -0.060548
C -2.089816 1.325281 -0.296343
C 1.499308 3.723090 0.660042
C -0.941223 3.475983 0.329902
C 3.093073 -0.971045 -0.229479
C 0.196700 4.269432 0.639604
C -6.009694 -2.261521 0.936763
C -4.429178 -3.663386 -0.296471
C 2.496639 -2.231154 -0.510651
C 4.509199 -0.890613 -0.121792
C 3.295853 -3.378539 -0.677175
C 5.306647 -2.041812 -0.288512
C 4.704489 -3.290745 -0.566309
H -3.732285 -0.332446 -1.583564
H -2.632281 -1.744173 -1.507695
H -3.077558 -1.805599 1.049774
H -4.233180 -0.459643 0.792173
H 3.674697 1.724577 0.457938
H -0.928799 -0.371110 -0.563428
H 2.370330 4.341814 0.898796
H -1.945384 3.912473 0.316903
H 0.059138 5.331724 0.867483
H -6.383695 -1.228292 1.041745
H -5.730365 -2.635592 1.955333
H -6.839979 -2.888704 0.562983
H -3.656095 -3.662770 -1.084668
H -5.273079 -4.278809 -0.657483
H -3.997473 -4.164700 0.608965
H 1.407008 -2.285598 -0.592381
H 5.006586 0.065280 0.084638
H 2.823113 -4.342765 -0.892710
H 6.396029 -1.965183 -0.204219
H 5.325154 -4.183837 -0.695742


