%chk=000135322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135322

0 1
 O   -4.535300       1.445800      0.3690000    
 N    1.674600      -1.530300     -0.1040000    
 N   0.3876000      0.2688000      9.1399997E-02
 N   0.4068000      -2.009800     -9.5299996E-02
 C    1.632800     -0.1423000      1.0800000E-02
 C    2.881000      0.6176000      2.5900001E-02
 C    4.094900     -0.1049000     -7.8800000E-02
 C  -0.3143000     -0.8951000      2.2800000E-02
 C    2.881100      -2.223200     -0.2061000    
 C    4.060700      -1.578700     -0.1981000    
 C   -1.749000     -0.9079000      7.5199999E-02
 C    2.901100       2.009500      0.1388000    
 C    5.310400      0.5850000     -6.8200000E-02
 C   -2.453500      0.2899000      0.1988000    
 C    4.122000       2.685000      0.1483000    
 C    5.320600       1.976500      4.5200001E-02
 C   -2.439000      -2.118100      2.0000001E-03
 C   -3.847500      0.2773000      0.2491000    
 C   -3.832800      -2.130700      5.2299999E-02
 C   -4.537100     -0.9331000      0.1756000    
 C   -5.834900       1.497300     -0.2174000    
 C   -6.130300       2.921400     -0.6373000    
 H    2.817600      -3.301700     -0.2918000    
 H    4.996100      -2.120900     -0.2777000    
 H    1.978800       2.578700      0.2201000    
 H    6.255000      5.2900001E-02 -0.1473000    
 H   -1.939600       1.246700      0.2575000    
 H    4.140200       3.767700      0.2362000    
 H    6.266300       2.511000      5.3300001E-02
 H   -1.924700      -3.071100     -9.3099996E-02
 H   -4.369500      -3.073700      1.6000000E-03
 H   -5.619700     -0.9897000      0.2389000    
 H   -5.903300      0.8693000      -1.114600    
 H   -6.575600       1.166900      0.5192000    
 H   -7.126200       2.999900      -1.082600    
 H   -6.074400       3.596400      0.2232000    
 H   -5.389500       3.270900      -1.364100    


%chk=000135322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135322

0 1
O -4.519915 1.508042 -0.191762
N 1.770024 -1.516391 0.025318
N 0.439059 0.298145 -0.052390
N 0.476590 -2.038544 0.010561
C 1.734326 -0.106280 -0.012689
C 2.977733 0.621772 -0.004625
C 4.201831 -0.141489 0.042768
C -0.289547 -0.892344 -0.036522
C 2.940495 -2.263221 0.071138
C 4.144665 -1.591215 0.080211
C -1.758816 -0.936362 -0.068037
C 3.018034 2.043412 -0.041944
C 5.443004 0.563002 0.051313
C -2.486082 0.274227 -0.114661
C 4.253036 2.708059 -0.032539
C 5.468921 1.964829 0.014236
C -2.448085 -2.181967 -0.052063
C -3.900006 0.248921 -0.145515
C -3.853935 -2.192405 -0.083054
C -4.595538 -0.986886 -0.129783
C -5.994464 1.548642 -0.222438
C -6.393313 3.021317 -0.269222
H 2.822644 -3.346558 0.097187
H 5.073394 -2.167289 0.116308
H 2.072739 2.593741 -0.077622
H 6.378991 -0.006661 0.087332
H -1.957271 1.231108 -0.126917
H 4.286120 3.802275 -0.061107
H 6.427683 2.494507 0.021238
H -1.875633 -3.113152 -0.016050
H -4.390407 -3.147782 -0.070943
H -5.688388 -1.024514 -0.152843
H -6.361507 1.003850 -1.117094
H -6.398114 1.050957 0.683841
H -7.494281 3.117029 -0.289531
H -6.010674 3.555501 0.617076
H -5.981912 3.507025 -1.170374


