%chk=000040395.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040395

0 1
 O    2.230500       2.040500      -1.207600    
 O    2.154100       2.044700       1.200600    
 N   -2.598700      0.4738000     -0.2155000    
 N   -6.175700     -0.5634000     -0.3563000    
 C    1.815200       2.753300     -1.6700000E-02
 C   0.2982000       2.931000     -6.5300003E-02
 C  -0.4147000       1.582800     -0.1242000    
 C   -1.931200       1.768000     -0.1384000    
 C    2.518000       4.110100      3.3000000E-03
 C    2.804800      0.9291000     -0.6689000    
 C    2.761200      0.9315000      0.7033000    
 C   -4.045400      0.6363000     -0.2405000    
 C   -4.725900     -0.7251000     -0.3492000    
 C    3.378000     -0.1075000      -1.375900    
 C    3.288100     -0.1026000       1.449100    
 C    3.927700      -1.182700     -0.6562000    
 C    3.882200      -1.180400      0.7697000    
 C   -6.674500     -0.3327000       1.000300    
 C   -6.821900      -1.738900     -0.9423000    
 C    4.524600      -2.266000      -1.319100    
 C    4.435400      -2.261300       1.473100    
 C   -8.175500     -9.7599998E-02   1.000800    
 C   -6.546300      -2.984900     -0.1180000    
 C    5.068100      -3.330200     -0.5988000    
 C    5.023700      -3.327900      0.7925000    
 H   1.9099999E-02   3.517100     -0.9498000    
 H  -4.1400000E-02   3.477100      0.8236000    
 H  -0.1436000      0.9680000      0.7424000    
 H  -0.1173000       1.032300      -1.024900    
 H   -2.209400       2.383600      -1.002500    
 H   -2.240900       2.301300      0.7687000    
 H    2.234200       4.692300      0.8862000    
 H    2.293400       4.688300     -0.8991000    
 H    3.605600       3.977500      3.9700001E-02
 H   -4.337800       1.254500      -1.098900    
 H   -4.354700       1.162200      0.6686000    
 H   -2.328200     -0.1022000      0.5812000    
 H   -4.385000      -1.375700      0.4669000    
 H   -4.387900      -1.185000      -1.288200    
 H    3.399100     -8.4299996E-02  -2.461500    
 H    3.240000     -7.5700000E-02   2.533700    
 H   -6.407500      -1.118700       1.715600    
 H   -6.233100      0.5873000       1.399200    
 H   -7.899100      -1.593300      -1.075600    
 H   -6.441700      -1.891200      -1.960900    
 H    4.571900      -2.291600      -2.405900    
 H    4.413200      -2.283200       2.560800    
 H   -8.471200      0.6355000      0.2423000    
 H   -8.745900      -1.018100      0.8450000    
 H   -8.483600      0.3007000       1.974200    
 H   -6.979800      -3.847800     -0.6385000    
 H   -7.017200      -2.966100      0.8687000    
 H   -5.482300      -3.208700     -2.2000000E-03
 H    5.526900      -4.162100      -1.125400    
 H    5.447900      -4.158000       1.350100    


%chk=000040395-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040395

0 1
O 2.223061 1.848531 -1.283150
O 2.156814 1.964100 1.115991
N -2.794597 0.595922 -0.138502
N -6.404013 -0.591990 -0.155525
C 1.794730 2.732675 -0.134851
C 0.276950 2.926590 -0.182388
C -0.529221 1.612761 -0.162698
C -2.048661 1.870179 -0.157124
C 2.622161 4.014568 -0.173691
C 2.945497 0.775779 -0.725110
C 2.907813 0.845510 0.703654
C -4.266871 0.728241 -0.147132
C -4.925377 -0.665480 -0.237576
C 3.602818 -0.238748 -1.394145
C 3.527068 -0.096042 1.502833
C 4.265230 -1.247268 -0.602923
C 4.227709 -1.175596 0.850237
C -6.902236 -0.525885 1.241404
C -7.106169 -1.562694 -1.032430
C 4.969501 -2.330492 -1.221110
C 4.896648 -2.190349 1.607793
C -8.371255 -0.075072 1.346486
C -6.966271 -3.064226 -0.654877
C 5.612625 -3.306640 -0.452724
C 5.576072 -3.235955 0.973686
H 0.043164 3.504223 -1.098136
H -0.001510 3.561548 0.681757
H -0.250142 1.030647 0.738104
H -0.273638 0.997246 -1.043313
H -2.336044 2.419771 -1.076602
H -2.307441 2.538975 0.705917
H 2.367287 4.655897 0.687214
H 2.419398 4.567923 -1.106477
H 3.697813 3.775304 -0.130946
H -4.564752 1.315648 -1.035577
H -4.663381 1.277655 0.743855
H -2.475791 -0.011799 0.630544
H -4.492087 -1.326199 0.557563
H -4.635011 -1.114178 -1.204751
H 3.622621 -0.284860 -2.486540
H 3.491307 -0.033386 2.594070
H -6.773241 -1.499786 1.780561
H -6.271804 0.208191 1.777747
H -8.178174 -1.292588 -1.060198
H -6.724278 -1.410851 -2.060133
H 4.997321 -2.384817 -2.316054
H 4.868567 -2.135616 2.702728
H -8.515257 0.879830 0.810561
H -9.067350 -0.819184 0.919011
H -8.650645 0.069283 2.406532
H -7.498133 -3.693500 -1.392893
H -7.396935 -3.277736 0.340509
H -5.906109 -3.377681 -0.644227
H 6.145967 -4.128588 -0.942762
H 6.081951 -4.003895 1.569106


