%chk=000037464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037464

0 1
 O  -0.1434000     -0.6152000      0.1628000    
 O  -0.7840000       1.511500       1.885000    
 N   -3.663600     -0.2732000      0.4001000    
 C    2.193000       1.002800     -0.2197000    
 C    3.037400       1.657600      0.8881000    
 C    2.706200       1.602800      -1.545200    
 C    3.620400       2.905500      0.2426000    
 C    3.918400       2.449900      -1.174900    
 C    2.229600     -0.5080000     -0.1592000    
 C    1.064700      -1.245400      2.8400000E-02
 C    3.451800      -1.166500     -0.2943000    
 C   -4.603700      0.1097000     -0.6585000    
 C   -1.673800      0.4058000       1.705900    
 C   -2.676300      0.7723000      0.6091000    
 C  -0.8493000     -0.8376000       1.379700    
 C    1.110200      -2.635300      8.2300000E-02
 C    3.503200      -2.559400     -0.2409000    
 C   -3.834600      0.3301000      -1.966500    
 C   -5.310700       1.402900     -0.2390000    
 C   -5.627900      -1.016600     -0.8333000    
 C    2.332400      -3.293800     -5.2600000E-02
 H    1.161800       1.355600     -9.8700002E-02
 H    2.429300       1.903500       1.765400    
 H    3.853800       1.014900       1.237200    
 H    2.952500      0.8578000      -2.308800    
 H    1.929600       2.251700      -1.970000    
 H    2.878300       3.712600      0.2364000    
 H    4.513600       3.263600      0.7622000    
 H    4.827000       1.836900      -1.192700    
 H    4.061400       3.289600      -1.861100    
 H    4.375400     -0.6156000     -0.4486000    
 H   -2.195000      0.2478000       2.657700    
 H   -2.099800       1.011300     -0.2902000    
 H   -3.139600       1.708800      0.9369000    
 H  -0.1360000      -1.004200       2.198100    
 H   -1.477400      -1.729100       1.284200    
 H   -3.201300      -1.143300      0.1402000    
 H   0.2053000      -3.220500      0.2190000    
 H    4.454400      -3.072400     -0.3480000    
 H   -3.256700       1.259800      -1.985200    
 H   -4.535000      0.3986000      -2.808400    
 H   -3.158000     -0.5044000      -2.185800    
 H   -6.173600       1.588700     -0.8910000    
 H   -5.697700       1.341300      0.7852000    
 H   -4.680900       2.295000     -0.3213000    
 H   -5.143700      -1.955700      -1.125600    
 H   -6.361200     -0.7685000      -1.609100    
 H   -6.180200      -1.201000      9.5700003E-02
 H    2.372200      -4.378500     -1.3500000E-02
 H   -1.317500       2.277700       2.156800    


%chk=000037464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037464

0 1
O 0.014929 -0.619277 1.241516
O -1.621989 0.596213 3.514655
N -2.736637 0.058984 -0.065208
C 2.044223 0.715883 -0.109602
C 3.322566 1.525901 -0.439505
C 1.194321 0.903201 -1.408652
C 2.762477 2.819245 -1.087036
C 1.494606 2.359689 -1.886820
C 2.217888 -0.738809 0.302584
C 1.154531 -1.407331 0.984811
C 3.384221 -1.488261 0.026421
C -3.557489 0.734179 -1.123162
C -2.117632 -0.141627 2.336036
C -2.388499 0.819178 1.153314
C -1.073246 -1.216822 2.032289
C 1.260225 -2.766069 1.364928
C 3.505466 -2.849031 0.398004
C -2.950858 2.097312 -1.574530
C -4.999482 0.947700 -0.596673
C -3.595100 -0.239693 -2.326158
C 2.440044 -3.485509 1.066323
H 1.508406 1.237053 0.709395
H 3.949661 1.719435 0.449324
H 3.943422 0.982256 -1.178733
H 1.525950 0.166292 -2.164890
H 0.121114 0.725691 -1.219571
H 2.473621 3.536421 -0.295583
H 3.505852 3.325221 -1.728762
H 1.676613 2.385294 -2.976617
H 0.640019 3.032674 -1.688599
H 4.222617 -0.999253 -0.480646
H -3.062490 -0.672971 2.584563
H -1.497331 1.474303 1.040904
H -3.245281 1.464419 1.427451
H -0.680959 -1.610371 2.989518
H -1.542176 -2.036286 1.453101
H -1.882981 -0.347082 -0.475989
H 0.440643 -3.270161 1.884763
H 4.424407 -3.399970 0.170767
H -2.881632 2.802122 -0.725287
H -3.575815 2.570223 -2.355083
H -1.934025 1.955259 -1.987369
H -5.643818 1.356662 -1.396195
H -5.421918 -0.013354 -0.254797
H -5.030763 1.660719 0.248169
H -2.576627 -0.414955 -2.725054
H -4.211551 0.172069 -3.144918
H -4.017954 -1.212351 -2.018284
H 2.519453 -4.537890 1.361225
H -2.240024 1.345375 3.710562


