%chk=000154355.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154355

0 1
 O    2.046600       1.276600      -1.720000    
 N    5.503600      -1.189900     -6.0999999E-03
 N    2.473400      0.9084000      0.5292000    
 N  -0.3343000     -0.7037000     -0.4702000    
 C   -2.054400      0.8952000      0.1037000    
 C  -0.7160000      0.5529000     -0.2036000    
 C   -3.029400     -0.1578000      0.1262000    
 C   0.2537000       1.551200     -0.2339000    
 C    4.086400     -0.8979000      0.1660000    
 C    3.876400      0.5932000      0.3842000    
 C   -2.609300      -1.474200     -0.1570000    
 C   -2.345600       2.256600      0.3694000    
 C    1.643800       1.232700     -0.5471000    
 C  -5.3399999E-02   2.884500      3.0400001E-02
 C   -4.405700      2.1000000E-02  0.4149000    
 C   -1.267100      -1.677200     -0.4432000    
 C   -1.357000       3.239000      0.3332000    
 C   -3.518400      -2.546500     -0.1500000    
 C   -5.306400      -1.048600      0.4203000    
 C    5.710100      -2.618100     -0.2544000    
 C    6.265200     -0.7648000       1.170100    
 C   -4.862300      -2.332700      0.1379000    
 H    3.657200      -1.462200       1.005300    
 H    3.534800      -1.204300     -0.7323000    
 H    4.286000       1.173300     -0.4507000    
 H    4.336100      0.9493000       1.310400    
 H   -3.355000       2.578900      0.6112000    
 H    2.076800      0.8890000       1.464700    
 H   0.7168000       3.650700      2.0000001E-03
 H   -4.807500       1.005000      0.6431000    
 H  -0.8801000      -2.667300     -0.6696000    
 H   -1.609300       4.274300      0.5411000    
 H   -3.183200      -3.558000     -0.3699000    
 H   -6.354100     -0.8726000      0.6461000    
 H    5.165200      -2.935500      -1.150600    
 H    5.379300      -3.236300      0.5881000    
 H    6.769000      -2.827900     -0.4427000    
 H    6.347700      0.3246000       1.231900    
 H    7.300600      -1.120900       1.102100    
 H    5.843100      -1.150900       2.105100    
 H   -5.559100      -3.165300      0.1415000    


%chk=000154355-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154355

0 1
O 2.611558 2.172952 -0.373104
N 5.766301 -0.934622 0.144643
N 2.163969 0.165393 0.723265
N -0.400208 -0.620438 0.878083
C -2.135304 0.851587 -0.123484
C -0.754011 0.554476 0.185097
C -3.169046 -0.094577 0.299346
C 0.288715 1.465358 -0.216156
C 4.362667 -0.614851 -0.196501
C 3.574268 -0.097589 1.035893
C -2.758135 -1.279605 1.004570
C -2.439355 2.053312 -0.827217
C 1.782089 1.290707 0.038467
C -0.067396 2.636024 -0.909463
C -4.564531 0.086487 0.054943
C -1.349380 -1.470035 1.255510
C -1.419489 2.931697 -1.214079
C -3.721760 -2.237191 1.441843
C -5.499767 -0.862921 0.490628
C 6.690122 -0.791005 -0.997431
C 5.919992 -2.235510 0.822469
C -5.082805 -2.034112 1.188954
H 3.823737 -1.491725 -0.638782
H 4.354675 0.192474 -0.949358
H 4.058285 0.834093 1.377568
H 3.609628 -0.832032 1.860443
H -3.477138 2.299614 -1.071699
H 1.387902 -0.476840 0.993192
H 0.748245 3.306057 -1.200886
H -4.920362 0.973151 -0.477589
H -1.022583 -2.370403 1.792306
H -1.665925 3.851721 -1.754444
H -3.378905 -3.130641 1.977278
H -6.565346 -0.703528 0.292414
H 6.606237 0.227118 -1.415816
H 6.500736 -1.522835 -1.824556
H 7.731012 -0.933638 -0.652902
H 5.293080 -2.273375 1.730415
H 6.970766 -2.370050 1.136891
H 5.638033 -3.105537 0.173606
H -5.826375 -2.765358 1.522444


