%chk=000178084.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178084

0 1
 O    1.750200       2.792900     -0.8462000    
 O   5.5399999E-02   4.280300      3.7000000E-03
 N   -3.130000      -1.874700      0.7533000    
 C  -0.7227000      -1.241800      0.1079000    
 C   -2.040700      -1.951800     -0.2331000    
 C   0.3877000      -1.484600     -0.9454000    
 C    1.383900     -0.3166000     -0.8186000    
 C  -0.7395000      0.2623000      0.1647000    
 C   -2.698300      -1.575300      -1.560400    
 C   0.4640000      0.7726000     -0.3594000    
 C   -4.418200      -1.917200      4.7400001E-02
 C   -4.086700      -2.165500      -1.413600    
 C   -1.721100       1.107700      0.6948000    
 C   -3.051500     -0.8369000       1.777000    
 C    2.493500     -0.5948000      0.1881000    
 C   -3.016100      0.6182000       1.285800    
 C   0.6635000       2.127900     -0.3801000    
 C   -1.493800       2.498100      0.6411000    
 C    3.398200      -1.734600     -0.2839000    
 C  -0.3043000       2.970700      0.1072000    
 C    4.579900      -2.010000      0.6644000    
 C    1.359600       4.159500     -0.6013000    
 C    5.413700     -0.7379000      0.8374000    
 C    5.473300      -3.148300      0.1694000    
 H  -0.3548000      -1.609400       1.076000    
 H   -1.793100      -3.021900     -0.3000000    
 H   0.8205000      -2.482000     -0.8422000    
 H  -3.7099998E-02  -1.444800      -1.957500    
 H    1.804000     -7.7600002E-02  -1.802800    
 H   -2.183300      -1.999800      -2.427100    
 H   -2.765300     -0.4898000      -1.692900    
 H   -4.978500     -0.9800000      0.1325000    
 H   -5.053300      -2.713600      0.4490000    
 H   -4.808300      -1.702900      -2.093100    
 H   -4.060800      -3.242600      -1.619400    
 H   -2.192900      -1.031700       2.432000    
 H   -3.926300     -0.9504000       2.431700    
 H    3.071800      0.3275000      0.3089000    
 H    2.082800     -0.8372000       1.176400    
 H   -3.238500       1.245600       2.160000    
 H   -3.816600      0.8092000      0.5624000    
 H   -2.234700       3.195700       1.021300    
 H    2.830500      -2.665600     -0.3760000    
 H    3.782800      -1.502200      -1.285500    
 H    4.183600      -2.297500       1.646400    
 H    1.355500       4.699800      -1.554900    
 H    2.098700       4.622300      6.2799998E-02
 H    4.881200      2.2000000E-02   1.416800    
 H    5.696300     -0.3072000     -0.1292000    
 H    6.336400     -0.9542000       1.387700    
 H    5.920900      -2.907500     -0.8009000    
 H    6.283600      -3.347200      0.8786000    
 H    4.894400      -4.070700      5.5300001E-02


%chk=000178084-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178084

0 1
O 1.817300 2.761525 -0.793142
O 0.187461 4.289107 0.076382
N -3.272247 -1.837709 0.725011
C -0.830803 -1.312591 0.159875
C -2.151974 -1.995421 -0.265359
C 0.345199 -1.662159 -0.812857
C 1.334125 -0.453234 -0.775518
C -0.808856 0.220533 0.212987
C -2.767566 -1.551778 -1.620634
C 0.426815 0.683172 -0.338349
C -4.572665 -1.829038 -0.010003
C -4.214493 -2.089096 -1.499886
C -1.770969 1.113277 0.751409
C -3.153927 -0.836504 1.803298
C 2.535727 -0.645634 0.199397
C -3.091730 0.657888 1.364799
C 0.657705 2.054437 -0.354435
C -1.500910 2.519102 0.719350
C 3.589255 -1.636846 -0.342721
C -0.299403 2.952558 0.160793
C 4.742952 -1.967180 0.643274
C 1.402476 4.188660 -0.771004
C 5.586457 -0.717673 0.994836
C 5.645047 -3.081268 0.060353
H -0.579082 -1.708504 1.167408
H -1.917839 -3.081675 -0.348339
H 0.835042 -2.613095 -0.537330
H -0.052597 -1.779282 -1.837594
H 1.758376 -0.255456 -1.780427
H -2.237976 -1.967060 -2.495909
H -2.758625 -0.447718 -1.699541
H -5.085337 -0.846036 0.091182
H -5.264218 -2.598402 0.386282
H -4.920982 -1.597007 -2.190222
H -4.230151 -3.173959 -1.714906
H -2.273353 -1.071291 2.428914
H -4.036500 -0.967260 2.459302
H 3.005521 0.341118 0.373036
H 2.156031 -0.996377 1.181747
H -3.311661 1.294698 2.246286
H -3.920181 0.847231 0.649139
H -2.219127 3.236816 1.127241
H 3.087667 -2.586130 -0.624767
H 4.025571 -1.225791 -1.278541
H 4.286597 -2.349271 1.582187
H 1.149811 4.506179 -1.802149
H 2.206073 4.789238 -0.319484
H 4.981616 0.064205 1.487834
H 6.028031 -0.278303 0.078935
H 6.416273 -0.980616 1.677337
H 6.122083 -2.743489 -0.880341
H 6.450800 -3.355871 0.766519
H 5.062660 -3.994525 -0.165156


