%chk=000041795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041795

0 1
 O    4.149300      0.9933000      0.2639000    
 N   -2.971500     -0.4072000      0.4568000    
 C  -0.6619000      2.5300000E-02 -0.1546000    
 C   -2.547800      0.9125000      0.9656000    
 C   -1.754200      -1.090500     -5.9300002E-02
 C   -1.037800      0.8047000       1.119300    
 C  -0.8663000      0.9793000      -1.375700    
 C   -2.861600       1.970300     -0.1047000    
 C   -2.255500       1.627800      -1.468800    
 C   0.7978000     -0.4371000     -8.2500003E-02
 C   -2.085200      -1.829800      -1.356800    
 C   -3.640700      -1.198100       1.486200    
 C    1.822800      0.4997000      6.0400002E-02
 C    1.105100      -1.796500     -0.1612000    
 C    3.151100      7.8500003E-02  0.1247000    
 C    2.433400      -2.217700     -9.7300000E-02
 C    3.456300      -1.280300      4.5699999E-02
 C    3.766600       2.365700      0.3384000    
 H   -3.029200       1.197200       1.908200    
 H   -1.433400      -1.832200      0.6856000    
 H  -0.5552000       1.786000       1.192400    
 H  -0.7782000      0.2396000       2.025000    
 H  -0.6498000      0.4505000      -2.312700    
 H  -0.1409000       1.801600      -1.330500    
 H   -2.468100       2.940000      0.2258000    
 H   -3.946300       2.093700     -0.2120000    
 H   -2.938200      0.9543000      -1.998000    
 H   -2.202900       2.530800      -2.088700    
 H   -1.189000      -2.222800      -1.844200    
 H   -2.748300      -2.677900      -1.152000    
 H   -2.597000      -1.196100      -2.085800    
 H   -3.007100      -1.360800       2.365500    
 H   -3.939900      -2.174200       1.089100    
 H   -4.558300     -0.6963000       1.812500    
 H    1.543000       1.544500      0.1265000    
 H   0.3540000      -2.569000     -0.2695000    
 H    2.671900      -3.275600     -0.1580000    
 H    4.489000      -1.614500      9.5200002E-02
 H    3.156000       2.566200       1.225500    
 H    3.282000       2.699800     -0.5854000    
 H    4.685500       2.951400      0.4455000    


%chk=000041795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041795

0 1
O 4.254626 0.991099 0.215011
N -2.997088 -0.409782 0.478825
C -0.681182 0.037338 -0.118319
C -2.592212 0.944263 0.998069
C -1.768168 -1.096128 -0.056047
C -1.060291 0.830314 1.176138
C -0.896422 0.998981 -1.340640
C -2.901091 2.032997 -0.061822
C -2.327070 1.598148 -1.434170
C 0.772427 -0.461801 -0.078327
C -2.062919 -1.854122 -1.364890
C -3.794400 -1.237586 1.398730
C 1.814359 0.502765 0.037825
C 1.132387 -1.831427 -0.128362
C 3.168419 0.104008 0.096260
C 2.492978 -2.222873 -0.069766
C 3.517948 -1.268114 0.040070
C 3.957944 2.423035 0.270355
H -3.116677 1.161549 1.947682
H -1.413759 -1.835784 0.704783
H -0.556892 1.811239 1.240781
H -0.795390 0.242279 2.075136
H -0.651837 0.465011 -2.279212
H -0.158557 1.820909 -1.253975
H -2.461829 2.995818 0.271854
H -3.994093 2.179844 -0.149923
H -3.014363 0.839482 -1.847906
H -2.323602 2.451048 -2.140642
H -1.149975 -2.309874 -1.788379
H -2.793685 -2.664223 -1.184565
H -2.497238 -1.181688 -2.122581
H -3.248950 -1.535291 2.331151
H -4.108577 -2.165860 0.886553
H -4.712067 -0.698022 1.693451
H 1.553691 1.564339 0.091696
H 0.365523 -2.605858 -0.207716
H 2.752003 -3.286942 -0.111172
H 4.574010 -1.550075 0.086305
H 3.337406 2.673916 1.153190
H 3.446835 2.766211 -0.650662
H 4.937275 2.916957 0.355312


