%chk=000040179.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040179

0 1
 O  -0.1761000     -4.2800002E-02  -2.000900    
 O    2.490500     -0.6501000      -1.142100    
 N  -0.1570000      -1.520300     -0.2036000    
 N    1.720800       1.074300      0.2173000    
 N   -6.124300      0.5656000     -3.8100000E-02
 C   0.5455000      -4.212600      0.6172000    
 C   0.9483000      -2.997100       1.447600    
 C   0.4077000      -3.836700     -0.8555000    
 C  -4.6000001E-03  -1.822200       1.228200    
 C  -0.5510000      -2.663800      -1.032100    
 C  -3.7000000E-03 -0.2719000     -0.8024000    
 C   0.3885000      0.8618000      5.8600001E-02
 C  -0.5983000       1.568100      0.6194000    
 C   -2.035000       1.307800      0.4485000    
 C    2.702500      0.3021000     -0.3953000    
 C   -2.687200      0.4710000       1.342300    
 C   -2.715300       1.902800     -0.6036000    
 C   -4.746000      0.8160000      0.1261000    
 C   -4.050400      0.2238000       1.180100    
 C   -4.078600       1.655500     -0.7656000    
 C    4.107300      0.7011000     -0.1200000    
 C   -6.721600      0.5854000      -1.358500    
 C   -6.958700      0.2713000       1.110100    
 C    5.096500     -0.2577000     -0.1846000    
 C    4.376200       2.017500      0.1914000    
 C    6.415100      0.1170000      7.4199997E-02
 C    5.694700       2.392200      0.4501000    
 C    6.714100       1.441900      0.3915000    
 H    1.292700      -5.005600      0.7310000    
 H  -0.4075000      -4.610700      0.9864000    
 H   0.9710000      -3.263000       2.510200    
 H    1.965200      -2.693800       1.168300    
 H    1.393800      -3.566300      -1.253300    
 H   5.1100001E-02  -4.699500      -1.428600    
 H  -0.9996000      -2.077900       1.610000    
 H   0.3522000     -0.9561000       1.789400    
 H   -1.565300      -2.949100     -0.7281000    
 H  -0.5958000      -2.383400      -2.089200    
 H  -0.3626000       2.407800       1.269300    
 H    1.977500       1.826000      0.8500000    
 H   -2.161600      1.3800000E-02   2.175800    
 H   -2.207200       2.561000      -1.303600    
 H   -4.537400     -0.4419000       1.887000    
 H   -4.593000       2.141700      -1.589700    
 H   -7.684000      6.1500002E-02  -1.365200    
 H   -6.905100       1.614100      -1.686100    
 H   -6.084400      8.2199998E-02  -2.094600    
 H   -6.719700      0.9234000       1.957900    
 H   -8.018100      0.4313000      0.8797000    
 H   -6.842700     -0.7735000       1.416600    
 H    4.878900      -1.294200     -0.4246000    
 H    3.619700       2.794800      0.2115000    
 H    7.208800     -0.6230000      2.9600000E-02
 H    5.929400       3.425500      0.6889000    
 H    7.740900       1.734100      0.5913000    


%chk=000040179-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040179

0 1
O 0.584536 -0.088030 -2.135091
O 2.875383 -1.104980 0.257415
N -0.169695 -1.722350 -0.644858
N 1.839381 0.978448 0.397198
N -6.249938 0.743368 0.323642
C 0.306139 -4.575029 -0.219804
C 0.592811 -3.531879 0.885400
C 0.460922 -3.930248 -1.617373
C -0.303099 -2.280404 0.717532
C -0.435378 -2.676716 -1.744414
C 0.328602 -0.472094 -0.943224
C 0.503368 0.526337 0.192740
C -0.526534 1.159526 0.849640
C -1.975234 1.028226 0.661503
C 2.967893 0.161682 0.323723
C -2.842676 1.464012 1.706470
C -2.600278 0.533524 -0.522998
C -4.859699 0.844843 0.433614
C -4.239901 1.374047 1.611558
C -3.995645 0.440213 -0.635968
C 4.291070 0.874075 0.357215
C -6.854639 0.220936 -0.907936
C -7.109695 1.203958 1.420451
C 5.416687 0.155546 0.836275
C 4.460112 2.208765 -0.098530
C 6.685096 0.768395 0.887060
C 5.732495 2.819860 -0.051029
C 6.845662 2.105023 0.448816
H 0.989463 -5.439250 -0.116902
H -0.727561 -4.966129 -0.106350
H 0.415932 -3.967064 1.888285
H 1.647561 -3.206629 0.833064
H 1.514341 -3.631225 -1.775244
H 0.191809 -4.649680 -2.414780
H -1.367778 -2.546695 0.887897
H -0.024304 -1.506229 1.447757
H -1.504983 -2.973918 -1.697507
H -0.253782 -2.146483 -2.693401
H -0.229839 1.874966 1.633859
H 1.974873 1.964575 0.628385
H -2.402297 1.875412 2.624245
H -1.988679 0.256495 -1.386449
H -4.849936 1.721110 2.450278
H -4.418493 0.070633 -1.574449
H -7.950142 0.196096 -0.796583
H -6.615914 0.851743 -1.789023
H -6.512152 -0.810832 -1.126037
H -6.982606 2.288128 1.620343
H -8.164859 1.029678 1.157236
H -6.900319 0.657806 2.362704
H 5.271743 -0.882288 1.153814
H 3.618755 2.756489 -0.540169
H 7.547892 0.207835 1.263155
H 5.858571 3.844765 -0.416922
H 7.832054 2.580835 0.483966


