%chk=000029074.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029074

0 1
 O   -6.441700      -1.801300      3.3399999E-02
 O   -4.777700      -3.239500      5.9900001E-02
 N    5.919500     -0.8321000      2.0900000E-02
 N   -5.215900      -2.064900      3.8800001E-02
 C   -2.043200     -0.1890000      3.5000001E-03
 C  -0.5668000     -0.1010000      3.9999999E-04
 C   -2.511200       1.147800     -2.1400001E-02
 C  -0.1677000       1.322900     -2.7300000E-02
 C   -1.375200       2.063600     -3.9900001E-02
 C   -2.917100      -1.262500      2.3900000E-02
 C   0.2732000      -1.142100      1.9200001E-02
 C   -3.871700       1.413100     -2.5699999E-02
 C    1.066800       1.949000     -4.1099999E-02
 C   -1.346000       3.449300     -6.6200003E-02
 C   -4.286800     -0.9902000      1.9400001E-02
 C    1.743600      -1.061600      2.0000000E-02
 C   -4.759200      0.3329000     -5.2000000E-03
 C    1.091100       3.345100     -6.8499997E-02
 C  -0.1021000       4.087300     -8.0399998E-02
 C    2.424500      -1.067500      -1.187100    
 C    2.419400     -0.9814000       1.227300    
 C    4.511200     -0.9105000      2.0400001E-02
 C    3.817400     -0.9917000      -1.186900    
 C    3.812100     -0.9053000       1.227500    
 C    6.689400      -1.452800      -1.038600    
 C    6.614300     -0.1179000       1.073500    
 H  -0.1095000      -2.159900      3.7400000E-02
 H   -2.528000      -2.275300      4.2500000E-02
 H   -4.252900       2.428700     -4.4700000E-02
 H    2.016400       1.439700     -3.5300002E-02
 H   -2.257600       4.037600     -7.6099999E-02
 H   -5.823500      0.5581000     -9.1000004E-03
 H    2.044600       3.867000     -8.0899999E-02
 H  -5.5700000E-02   5.173100     -0.1015000    
 H    1.894700      -1.127500      -2.134100    
 H    1.886000     -0.9793000       2.174300    
 H    4.330300     -0.9853000      -2.144500    
 H    4.322600     -0.8547000       2.185000    
 H    6.293200      -2.441500      -1.296700    
 H    7.731600      -1.601500     -0.7342000    
 H    6.694600     -0.8232000      -1.934500    
 H    7.634800      0.1402000      0.7691000    
 H    6.686000     -0.7321000       1.977200    
 H    6.111100      0.8242000       1.318600    


%chk=000029074-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029074

0 1
O -6.184972 -2.268671 -0.223002
O -4.255651 -3.429774 -0.587079
N 6.101781 -1.233811 0.049355
N -4.896826 -2.333200 -0.333090
C -1.981527 0.035685 -0.119319
C -0.515943 0.283034 -0.155667
C -2.667488 1.267162 0.161125
C -0.357701 1.745173 0.063031
C -1.662190 2.328238 0.260258
C -2.708946 -1.157054 -0.274752
C 0.393358 -0.733842 -0.402722
C -4.075028 1.303752 0.280413
C 0.769680 2.599937 0.003697
C -1.825195 3.716765 0.454414
C -4.117339 -1.090904 -0.161321
C 1.845299 -0.799375 -0.278175
C -4.811664 0.115695 0.115527
C 0.598556 3.991331 0.185265
C -0.684933 4.548561 0.426852
C 2.564691 -1.766299 -1.046603
C 2.608665 -0.024378 0.648269
C 4.718397 -1.103090 -0.049469
C 3.954660 -1.910438 -0.956881
C 3.996492 -0.170203 0.768872
C 6.812403 -2.217381 -0.781054
C 6.857003 -0.404769 1.000161
H -0.056408 -1.681645 -0.738428
H -2.242048 -2.125260 -0.473835
H -4.595986 2.241842 0.497431
H 1.766848 2.204954 -0.204585
H -2.820564 4.148170 0.608272
H -5.901087 0.092376 0.195683
H 1.471721 4.651569 0.134922
H -0.789707 5.628977 0.574692
H 2.010386 -2.407659 -1.743394
H 2.091577 0.661156 1.326541
H 4.449466 -2.657404 -1.583477
H 4.522974 0.429105 1.516970
H 6.477398 -3.252686 -0.569345
H 7.891782 -2.160899 -0.571974
H 6.664001 -2.022260 -1.861814
H 7.930939 -0.629144 0.908887
H 6.555513 -0.601080 2.048904
H 6.716511 0.675745 0.798746


