%chk=000067228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067228

0 1
 O   -5.526800     -0.8468000      0.7473000    
 O   -3.041000       2.830300     -0.6174000    
 O   -3.649400       2.753200       1.614900    
 O    6.365700     -0.9300000      0.1795000    
 O    5.970900       1.740500     -0.4221000    
 N   -1.346600      -1.927800      9.3900003E-02
 N    1.177400      0.8265000     -0.1704000    
 C   -3.628600      -1.409800     -0.7585000    
 C   -3.257200      8.7600000E-02 -0.9016000    
 C  -0.9982000     -0.4827000      0.1565000    
 C   -1.724700      0.2343000     -0.9876000    
 C   -2.780600      -2.119700      0.3276000    
 C   -5.130000      -1.571500     -0.4301000    
 C   0.4904000     -0.3284000      7.5400002E-02
 C  -0.5348000      -2.733800       1.031200    
 C    1.405000      -1.332300      0.3146000    
 C   0.9610000      -2.715900      0.6377000    
 C   -3.927200      0.8764000      0.1943000    
 C    2.704700     -0.7761000      0.1749000    
 C   -6.048600      -1.184800      -1.590600    
 C   -4.942600      0.3824000      0.9155000    
 C    2.533600      0.5789000     -0.1299000    
 C   -3.534000       2.252000      0.5072000    
 C    4.014000      -1.286700      0.2800000    
 C    3.612600       1.446600     -0.3344000    
 C    5.101000     -0.4292000      7.6200001E-02
 C    4.901100      0.9159000     -0.2264000    
 C   -2.610000       4.187300     -0.4713000    
 C    6.955200      -1.447300      -1.010700    
 C    6.487600       2.410900      0.7244000    
 H   -3.420800      -1.909200      -1.715700    
 H   -3.667000      0.4560000      -1.852400    
 H   -1.315900     -6.2899999E-02   1.121400    
 H   -1.412200       1.279900      -1.037100    
 H   -1.396100     -0.1966000      -1.945600    
 H   -3.052400      -1.778400       1.334500    
 H   -3.014200      -3.191500      0.2850000    
 H   -5.325200      -2.629000     -0.2119000    
 H  -0.8691000      -3.778500       1.025700    
 H  -0.6569000      -2.359200       2.056600    
 H    1.115300      -3.350700     -0.2435000    
 H    1.559500      -3.130600       1.456300    
 H   0.7623000       1.729300     -0.3555000    
 H   -5.993600     -0.1163000      -1.821300    
 H   -5.803100      -1.751300      -2.494000    
 H   -7.092200      -1.388600      -1.326400    
 H   -5.438400      0.9035000       1.724200    
 H    4.177800      -2.334500      0.5173000    
 H    3.452300       2.494100     -0.5693000    
 H   -3.447900       4.820200     -0.1638000    
 H   -2.244900       4.534100      -1.441600    
 H   -1.792700       4.247800      0.2537000    
 H    7.961300      -1.800800     -0.7693000    
 H    7.032900     -0.6667000      -1.774000    
 H    6.370800      -2.290100      -1.393400    
 H    6.832100       1.688900       1.471500    
 H    5.728100       3.068200       1.159500    
 H    7.338900       3.021000      0.4101000    


%chk=000067228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067228

0 1
O -5.595803 -0.870466 0.747541
O -2.870408 2.884223 -0.596396
O -4.107286 2.983197 1.373537
O 6.405236 -0.987800 0.183631
O 5.992041 1.805189 -0.453110
N -1.397856 -1.934996 0.195035
N 1.124631 0.846817 -0.184635
C -3.674240 -1.473245 -0.738141
C -3.316720 0.032783 -0.957973
C -1.058242 -0.481847 0.158812
C -1.770813 0.162352 -1.050931
C -2.849325 -2.112380 0.409506
C -5.180022 -1.664443 -0.470268
C 0.440026 -0.346005 0.106067
C -0.569519 -2.708049 1.159659
C 1.358931 -1.362393 0.349439
C 0.908233 -2.756599 0.703408
C -3.984465 0.877342 0.130845
C 2.681522 -0.790638 0.195325
C -6.105993 -1.280513 -1.631708
C -5.020794 0.372054 0.884152
C 2.504102 0.602609 -0.135244
C -3.680936 2.299413 0.404189
C 3.998951 -1.309380 0.289385
C 3.594823 1.473487 -0.335338
C 5.091753 -0.454412 0.069243
C 4.892254 0.939227 -0.220304
C -2.616547 4.333123 -0.419158
C 7.143686 -1.035174 -1.098061
C 6.856332 2.023647 0.729673
H -3.417792 -2.017963 -1.667583
H -3.716794 0.352461 -1.942543
H -1.439582 0.023470 1.090341
H -1.506476 1.228149 -1.140466
H -1.425391 -0.361053 -1.962230
H -3.179613 -1.689526 1.392664
H -3.063581 -3.198173 0.434536
H -5.383251 -2.702791 -0.151211
H -0.982603 -3.732435 1.214361
H -0.624231 -2.268179 2.188135
H 1.000969 -3.434641 -0.168222
H 1.527815 -3.184033 1.516545
H 0.686786 1.737886 -0.406860
H -5.970743 -0.226387 -1.928973
H -5.893999 -1.919842 -2.508148
H -7.160920 -1.425034 -1.343288
H -5.489214 0.954788 1.683179
H 4.194436 -2.362004 0.517419
H 3.479318 2.536944 -0.566680
H -3.567148 4.892322 -0.430349
H -1.983989 4.614632 -1.273776
H -2.104847 4.523296 0.539557
H 8.134681 -1.449412 -0.854576
H 7.243220 -0.022771 -1.530751
H 6.624010 -1.699987 -1.815220
H 7.265952 1.065690 1.097289
H 6.281708 2.520532 1.535283
H 7.666328 2.685037 0.384486


