%chk=000178115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178115

0 1
 O    4.600500       2.323800      0.1359000    
 O    2.405600       2.367800      0.1301000    
 N   -3.858400      0.9552000      0.1644000    
 N    1.017600      0.3063000      1.0500000E-02
 N    3.491100       1.742000      9.9299997E-02
 C   -2.763900     -4.7600001E-02  3.3700000E-02
 C   -2.920000     -0.9842000       1.236600    
 C   -2.992800     -0.7676000      -1.311100    
 C   -4.776400      0.4830000       1.217300    
 C   -4.507800       1.045800      -1.150500    
 C   -4.404200     -0.9547000       1.527000    
 C   -4.370900     -0.3280000      -1.769400    
 C   -1.399300      0.6437000      5.7000000E-02
 C  -0.2709000     -0.3747000     -3.1500001E-02
 C    2.224100     -0.3582000     -2.2800000E-02
 C    3.462900      0.3213000      1.9400001E-02
 C    2.255900      -1.768000     -0.1014000    
 C    4.671200     -0.3746000     -1.5300000E-02
 C    3.464100      -2.464100     -0.1360000    
 C    4.671800      -1.767400     -9.3099996E-02
 H   -2.384400     -0.5981000       2.113800    
 H   -2.568800      -2.003900       1.049600    
 H   -2.928600      -1.858300      -1.242200    
 H   -2.271300     -0.4399000      -2.069900    
 H   -5.838400      0.5848000      0.9682000    
 H   -4.601100       1.099200       2.107600    
 H   -3.958900       1.778100      -1.755700    
 H   -5.546700       1.389400      -1.106200    
 H   -4.938100      -1.647700      0.8679000    
 H   -4.627900      -1.229200       2.562200    
 H   -4.453600     -0.3040000      -2.860100    
 H   -5.139900      -1.008200      -1.387200    
 H   -1.287600       1.235300      0.9762000    
 H   -1.317200       1.359800     -0.7721000    
 H  -0.3440000     -0.9474000     -0.9620000    
 H  -0.3302000      -1.071000      0.8118000    
 H    1.004200       1.316000      5.6100000E-02
 H    1.344400      -2.359000     -0.1388000    
 H    5.633300      0.1303000      1.6200000E-02
 H    3.465400      -3.548500     -0.1969000    
 H    5.612300      -2.309900     -0.1203000    


%chk=000178115-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178115

0 1
O 4.658199 2.433383 -0.090646
O 2.382684 2.465393 0.019233
N -3.875379 0.931012 0.215519
N 1.034743 0.216369 0.046341
N 3.524684 1.811321 -0.044517
C -2.814104 -0.146084 0.092685
C -3.072837 -1.079643 1.313748
C -3.078807 -0.846929 -1.305114
C -4.884245 0.506071 1.242074
C -4.390501 1.191171 -1.155184
C -4.601810 -0.991206 1.535297
C -4.359700 -0.182244 -1.884006
C -1.409840 0.510425 0.137844
C -0.246863 -0.500510 0.084630
C 2.263354 -0.389859 -0.018276
C 3.503820 0.357849 -0.063932
C 2.380668 -1.823020 -0.045971
C 4.761174 -0.300940 -0.131902
C 3.627116 -2.453571 -0.113199
C 4.833503 -1.697430 -0.156989
H -2.545319 -0.686779 2.205599
H -2.719502 -2.110632 1.138630
H -3.194778 -1.940271 -1.196306
H -2.224626 -0.673528 -1.987182
H -5.913729 0.683611 0.877704
H -4.751609 1.103046 2.166224
H -3.720562 1.908017 -1.670232
H -5.392646 1.650937 -1.112444
H -5.134898 -1.638457 0.813223
H -4.904711 -1.293576 2.553150
H -4.328040 -0.085663 -2.984232
H -5.259938 -0.769453 -1.621976
H -1.338958 1.111313 1.064060
H -1.318606 1.216306 -0.712004
H -0.343371 -1.148464 -0.812228
H -0.283723 -1.166161 0.972157
H 1.058841 1.249050 0.064302
H 1.470884 -2.427713 -0.012544
H 5.657968 0.323381 -0.163794
H 3.671368 -3.548417 -0.131897
H 5.803196 -2.200508 -0.209545


