%chk=000157273.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157273

0 1
 O   -5.007800      -1.423000     -0.4630000    
 N   -5.537200      0.4255000      0.8417000    
 C   -7.633100      0.9889000     -0.3474000    
 C   -6.972600      0.2566000      0.8260000    
 C   -9.144600      0.7515000     -0.3822000    
 C   -7.342500       2.487500     -0.2607000    
 C   -4.674900     -0.4387000      0.1888000    
 C    1.571700     -0.7839000     -0.4933000    
 C    2.393300      -1.910200      0.1494000    
 C   -3.251400     -3.5399999E-02  0.3614000    
 C   0.1140000      -1.129600     -0.6263000    
 C   -2.273100     -0.7574000     -0.2027000    
 C  -0.8746000     -0.4157000     -6.7100003E-02
 C    3.878600      -1.713000      0.3121000    
 C    4.592500     -0.6151000      2.0199999E-02
 C    6.023200     -0.5286000      0.2192000    
 C    6.735800      0.5701000     -7.3100001E-02
 C    8.165400      0.6580000      0.1262000    
 C    8.880500       1.754600     -0.1650000    
 C    10.35690       1.858000      3.5799999E-02
 H   -7.207800      0.6145000      -1.287500    
 H   -7.200300     -0.8144000      0.7754000    
 H   -7.351800      0.6326000       1.782900    
 H   -9.599900       1.260400      -1.238200    
 H   -9.365100     -0.3174000     -0.4713000    
 H   -9.625500       1.122000      0.5295000    
 H   -6.270700       2.695500     -0.3406000    
 H   -7.837200       3.024100      -1.077700    
 H   -7.702500       2.909800      0.6838000    
 H   -5.165800       1.218200       1.357500    
 H    1.691900      0.1363000      9.2000000E-02
 H    1.960800     -0.5737000      -1.497300    
 H    2.253300      -2.824600     -0.4426000    
 H    1.980400      -2.124600       1.144000    
 H   -3.032500      0.8491000      0.9516000    
 H  -0.1221000      -2.007700      -1.223600    
 H   -2.506700      -1.641100     -0.7909000    
 H  -0.6312000      0.4639000      0.5236000    
 H    4.399100      -2.578200      0.7214000    
 H    4.098800      0.2631000     -0.3856000    
 H    6.520700      -1.406500      0.6255000    
 H    6.238600       1.448200     -0.4794000    
 H    8.667500     -0.2166000      0.5322000    
 H    8.387700       2.634600     -0.5715000    
 H    10.58240       2.677200      0.7254000    
 H    10.78580      0.9385000      0.4466000    
 H    10.84880       2.066800     -0.9191000    


%chk=000157273-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157273

0 1
O -5.012362 -1.303488 -0.577746
N -5.625925 0.447610 0.834803
C -7.759374 1.055490 -0.398159
C -7.067462 0.197674 0.697869
C -9.234103 0.614194 -0.538714
C -7.654597 2.567130 -0.094432
C -4.676789 -0.327036 0.170808
C 1.667135 -0.745666 -0.389223
C 2.411298 -1.947779 0.253143
C -3.263096 0.071940 0.417345
C 0.193869 -1.018242 -0.564357
C -2.227434 -0.612407 -0.161045
C -0.816757 -0.305030 0.023291
C 3.905250 -1.774779 0.421588
C 4.652048 -0.684966 0.058178
C 6.090976 -0.581631 0.252535
C 6.847357 0.509684 -0.112811
C 8.285870 0.616621 0.081961
C 9.037429 1.702522 -0.283318
C 10.527683 1.831846 -0.089425
H -7.235439 0.846683 -1.352100
H -7.181570 -0.871690 0.445975
H -7.558037 0.383177 1.674624
H -9.744694 1.190083 -1.332029
H -9.309341 -0.458676 -0.795639
H -9.789018 0.779299 0.405862
H -6.600855 2.898141 -0.035491
H -8.145204 3.163092 -0.885774
H -8.151168 2.811932 0.865735
H -5.311766 1.231592 1.407914
H 1.815794 0.159107 0.230679
H 2.126516 -0.541608 -1.379317
H 2.220471 -2.859469 -0.354079
H 1.957175 -2.163107 1.243640
H -3.064279 0.928485 1.078193
H -0.072884 -1.871347 -1.209383
H -2.496627 -1.458944 -0.810485
H -0.561512 0.546161 0.673101
H 4.425942 -2.625098 0.890803
H 4.160162 0.179403 -0.410902
H 6.594183 -1.440011 0.724665
H 6.344053 1.367765 -0.585770
H 8.788470 -0.240830 0.556228
H 8.527747 2.556210 -0.757578
H 10.776272 2.709292 0.540446
H 10.954291 0.933817 0.391276
H 11.047100 1.982955 -1.056784


