%chk=000037497.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037497

0 1
 O   7.4900001E-02  0.4590000      -2.012600    
 N   -2.074600     -0.4818000      0.3443000    
 N   0.6435000      0.2567000      0.2554000    
 C   -1.645500      0.7349000     -0.3467000    
 C   -3.417700     -0.3089000      0.8952000    
 C   -1.724000       1.924400      0.6187000    
 C   -2.037900      -1.625200     -0.5661000    
 C  -0.2175000      0.4594000     -0.8199000    
 C   -4.423800     -6.7599997E-02 -0.2273000    
 C   -1.220800       3.215100     -1.6100001E-02
 C   -2.420500      -2.909500      0.1403000    
 C    2.030300     -2.2000000E-02  0.2095000    
 C   -5.827400      0.1371000      0.3216000    
 C    2.459000      -1.339800      0.1555000    
 C    2.936800       1.027500      0.2200000    
 C    3.825900      -1.614600      0.1110000    
 C    4.303600      0.7529000      0.1753000    
 C    1.495700      -2.482300      0.1435000    
 C    2.491800       2.453100      0.2776000    
 C    4.748200     -0.5683000      0.1208000    
 H   -2.223200      0.9491000      -1.253700    
 H   -3.714300      -1.194400       1.470200    
 H   -3.466900      0.4743000       1.657800    
 H   -1.161300       1.743500       1.542400    
 H   -2.756100       2.147200      0.9062000    
 H   -2.629400      -1.494600      -1.478900    
 H   -1.020000      -1.795700     -0.9246000    
 H   -4.195900      0.8266000     -0.8136000    
 H   -4.491400     -0.9119000     -0.9190000    
 H   -1.822800       3.474600     -0.8934000    
 H   -1.297100       4.040800      0.6988000    
 H  -0.1802000       3.143000     -0.3324000    
 H   -1.896600      -3.020700       1.096000    
 H   -3.497600      -2.989800      0.3149000    
 H   -2.141700      -3.767900     -0.4817000    
 H   0.2077000      2.6300000E-02   1.145900    
 H   -6.161400     -0.7415000      0.8830000    
 H   -5.865400       1.005500      0.9873000    
 H   -6.535800      0.3060000     -0.4959000    
 H    4.188700      -2.638100      6.6000000E-02
 H    5.035800       1.556100      0.1804000    
 H    1.077200      -2.609000     -0.8589000    
 H    1.989800      -3.421400      0.4177000    
 H   0.6912000      -2.336100      0.8705000    
 H    1.750500       2.600800       1.069500    
 H    3.326600       3.126900      0.5008000    
 H    2.072700       2.754300     -0.6872000    
 H    5.812500     -0.7821000      8.5100003E-02


%chk=000037497-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037497

0 1
O 0.472864 1.361301 -1.868181
N -2.040246 -0.412821 0.025800
N 0.620628 0.105021 0.129956
C -1.585584 0.886595 -0.576771
C -3.288189 -0.377231 0.840000
C -1.860206 2.123299 0.326205
C -2.039573 -1.482832 -1.021793
C -0.056606 0.803665 -0.861707
C -4.614591 -0.095522 0.081087
C -1.387012 3.453505 -0.299990
C -2.295380 -2.896968 -0.471984
C 2.028190 -0.137987 0.242700
C -5.815499 -0.044685 1.049963
C 2.454778 -1.482011 0.479165
C 2.972309 0.931446 0.183882
C 3.835669 -1.747714 0.620168
C 4.348770 0.615248 0.312130
C 1.447180 -2.615047 0.564677
C 2.548561 2.377762 0.038905
C 4.785892 -0.707958 0.523839
H -2.062167 1.070549 -1.567427
H -3.375290 -1.352187 1.355385
H -3.159351 0.372381 1.640674
H -1.371717 1.970623 1.309078
H -2.948110 2.196971 0.510887
H -2.778017 -1.257065 -1.827850
H -1.045062 -1.460432 -1.506082
H -4.538515 0.862398 -0.470461
H -4.787392 -0.882264 -0.679235
H -1.852862 3.613133 -1.289636
H -1.665919 4.301063 0.352269
H -0.295236 3.475459 -0.449294
H -1.609142 -3.124696 0.363188
H -3.331763 -3.029060 -0.113655
H -2.124797 -3.641707 -1.270490
H -0.044097 -0.430037 0.717865
H -5.923900 -0.999182 1.599424
H -5.690264 0.759658 1.799675
H -6.761906 0.142017 0.511215
H 4.165099 -2.778782 0.794658
H 5.080551 1.430105 0.261501
H 0.807832 -2.655547 -0.336674
H 1.959740 -3.586566 0.663465
H 0.771353 -2.510517 1.437468
H 1.711099 2.618256 0.721425
H 3.387883 3.055703 0.269763
H 2.190905 2.580868 -0.986843
H 5.854690 -0.926308 0.624855


