%chk=000050767.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050767

0 1
 O   0.1140000      -1.336800      0.3535000    
 O    1.264500      -1.163400       2.339800    
 N   -2.512800     -0.8281000     -0.6315000    
 N    5.563600      0.6552000      -2.091500    
 C   -3.260500       1.543400     -0.2871000    
 C   -3.311000      7.5900003E-02  0.1892000    
 C   -2.218200      -2.058800      8.8299997E-02
 C   -1.844500       2.165700     -0.2205000    
 C   -3.818000       1.735000      -1.718000    
 C   -1.154100       2.135100       1.148100    
 C   -1.047200      -1.777600       1.047300    
 C   -3.467800      -2.497800      0.8657000    
 C   -1.849800      -3.137100     -0.9399000    
 C   0.2002000       2.844400       1.164000    
 C   -5.214600       1.163000      -1.918400    
 C   0.8861000       2.698800       2.513800    
 C    1.202300      -1.063700       1.124200    
 C    2.341200     -0.6142000      0.2845000    
 C    3.558000     -0.2809000      0.8797000    
 C    2.194600     -0.5254000      -1.099800    
 C    4.628000      0.1410000      9.0899996E-02
 C    3.264700     -0.1034000      -1.888900    
 C    4.481300      0.2298000      -1.293400    
 H   -3.902300       2.121000      0.3931000    
 H   -4.360800     -0.2378000      0.1913000    
 H   -2.993500      9.4300002E-02   1.236400    
 H   -1.187600       1.688400     -0.9583000    
 H   -1.921600       3.216500     -0.5318000    
 H   -3.850500       2.808400      -1.943100    
 H   -3.141900       1.283500      -2.454200    
 H   -1.645000     -0.3874000     -0.9300000    
 H   -1.813200       2.598400       1.892400    
 H   -1.001900       1.101000       1.461000    
 H  -0.7948000      -2.712800       1.566000    
 H   -1.312400      -1.055200       1.826000    
 H   -3.698100      -1.878700       1.739100    
 H   -4.354600      -2.554400      0.2226000    
 H   -3.314700      -3.509800       1.263300    
 H  -0.9926000      -2.837700      -1.554200    
 H   -2.685900      -3.342700      -1.618800    
 H   -1.586400      -4.078100     -0.4437000    
 H   0.8479000       2.424000      0.3861000    
 H   6.5700002E-02   3.907600      0.9352000    
 H   -5.905400       1.532100      -1.153900    
 H   -5.603000       1.463100      -2.897300    
 H   -5.212400      6.9499999E-02  -1.892000    
 H    1.057900       1.646800       2.759500    
 H    1.855600       3.206600       2.501900    
 H   0.2800000       3.142300       3.310200    
 H    3.691900     -0.3426000       1.956400    
 H    1.265300     -0.7737000      -1.604500    
 H    5.571100      0.3979000      0.5664000    
 H    3.138400     -3.7999999E-02  -2.966600    
 H    5.457000      0.7220000      -3.095000    
 H    6.445200      0.8993000      -1.660300    


%chk=000050767-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050767

0 1
O 0.040663 -1.753796 0.350360
O 0.868669 -1.914994 2.528242
N -2.516006 -0.742419 -0.594698
N 5.792206 0.922025 -0.651770
C -3.278520 1.571288 0.008740
C -2.962190 0.135306 0.512010
C -2.279951 -2.188213 -0.307512
C -2.036938 2.282383 -0.603199
C -4.459190 1.596206 -0.999913
C -0.794769 2.358117 0.314715
C -1.214535 -2.409868 0.802237
C -3.592717 -2.863994 0.159547
C -1.810260 -2.837249 -1.632144
C 0.340393 3.222234 -0.282133
C -5.814544 1.146429 -0.412761
C 1.577125 3.309835 0.638229
C 1.033267 -1.566394 1.329435
C 2.246953 -0.924638 0.777698
C 3.313855 -0.616097 1.665689
C 2.393245 -0.607955 -0.600866
C 4.486534 -0.005599 1.200910
C 3.563458 0.000763 -1.078062
C 4.632234 0.315989 -0.183798
H -3.580890 2.150930 0.909710
H -3.880465 -0.292879 0.952226
H -2.218707 0.208593 1.342243
H -1.761599 1.792286 -1.561672
H -2.337536 3.315444 -0.876531
H -4.559990 2.628518 -1.393981
H -4.198320 0.944820 -1.856399
H -1.676039 -0.350228 -1.044044
H -1.089761 2.777281 1.299683
H -0.399058 1.341828 0.514858
H -1.009861 -3.484426 0.967648
H -1.522283 -1.963242 1.764692
H -3.918647 -2.509334 1.154506
H -4.393272 -2.640496 -0.566892
H -3.466207 -3.960261 0.218619
H -0.870826 -2.375143 -1.986149
H -2.584266 -2.700030 -2.406659
H -1.625781 -3.918750 -1.499074
H 0.639467 2.800970 -1.264392
H -0.047290 4.241955 -0.485797
H -6.080448 1.737709 0.484901
H -6.627110 1.273266 -1.152174
H -5.797258 0.079481 -0.124096
H 2.003226 2.306408 0.823982
H 2.371265 3.937460 0.192276
H 1.309403 3.748844 1.618321
H 3.195769 -0.866963 2.725235
H 1.579884 -0.850201 -1.290869
H 5.298577 0.228371 1.899882
H 3.662834 0.238083 -2.144235
H 5.899505 1.155650 -1.634809
H 6.554101 1.148592 -0.018764


