%chk=000146333.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146333

0 1
 O    2.370900      -1.657300      6.4400002E-02
 O    2.134300       1.024500     -0.9580000    
 O   -3.986200      -1.022000      0.3887000    
 O   -6.747700      -1.202300      0.5163000    
 O   -2.792800       1.433100     -7.8100003E-02
 N   -1.279100      -1.408200     -0.3895000    
 C    1.114100     -0.9751000     -4.6000000E-02
 C   3.2800000E-02  -2.025900     -0.2507000    
 C    1.163000      4.4000000E-03  -1.211000    
 C    3.434100     -0.7972000     -1.8600000E-02
 C    3.317500      0.5041000     -0.5034000    
 C   -2.310100      -2.416300     -0.5953000    
 C    4.675200      -1.280000      0.3988000    
 C    5.810200     -0.4536000      0.3644000    
 C    5.686400      0.8769000     -0.1032000    
 C    4.432700       1.342600     -0.5321000    
 C   -3.670000      -1.762700     -0.7827000    
 C    7.066100     -0.9183000      0.7877000    
 C    6.822000       1.702700     -0.1320000    
 C    8.183500     -8.3899997E-02  0.7518000    
 C    8.061600       1.224300      0.2932000    
 C   -4.758000      9.8200001E-02  0.2220000    
 C   -6.144200     -2.2000000E-03  0.2890000    
 C   -4.149500       1.327500     -1.1900000E-02
 C   -6.929800       1.138000      0.1202000    
 C   -4.935200       2.467700     -0.1806000    
 C   -6.325300       2.372800     -0.1144000    
 C   -8.172900      -1.211300      0.5692000    
 C   -2.103300       1.699400       1.141600    
 H   0.9396000     -0.4401000      0.8984000    
 H   4.6300001E-02  -2.721200      0.5986000    
 H   0.2726000      -2.622900      -1.140400    
 H   0.2059000      0.5154000      -1.354100    
 H    1.423500     -0.4945000      -2.153600    
 H   -1.493500     -0.8660000      0.4461000    
 H   -2.349400      -3.082100      0.2753000    
 H   -2.085100      -3.021000      -1.481200    
 H    4.754400      -2.302800      0.7631000    
 H    4.324800       2.361000     -0.9014000    
 H   -3.661100      -1.120100      -1.673000    
 H   -4.436600      -2.532400     -0.9261000    
 H    7.184900      -1.937000       1.151100    
 H    6.750700       2.728600     -0.4878000    
 H    9.148800     -0.4558000       1.082500    
 H    8.931900       1.873500      0.2655000    
 H   -8.013600       1.140400      0.1583000    
 H   -4.471100       3.432900     -0.3644000    
 H   -6.935900       3.261400     -0.2462000    
 H   -8.614200     -0.9183000     -0.3895000    
 H   -8.481600      -2.244800      0.7580000    
 H   -8.549900     -0.6098000       1.403400    
 H   -2.314000      0.9241000       1.885200    
 H   -2.388400       2.680900       1.533200    
 H   -1.029600       1.704500      0.9350000    


%chk=000146333-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146333

0 1
O 2.163720 -1.426996 0.490930
O 1.815495 0.456852 -1.713974
O -4.250213 -1.209278 1.000833
O -6.432957 -0.707002 -0.636208
O -2.473835 0.845609 1.684673
N -1.527073 -1.722362 0.099019
C 0.818814 -0.990615 0.024331
C -0.138159 -2.140972 0.361990
C 0.881093 -0.667295 -1.470024
C 3.226898 -0.620588 0.031826
C 3.053151 0.316280 -1.051872
C -2.532118 -2.787018 0.270201
C 4.468192 -0.750815 0.650944
C 5.580608 0.049021 0.240027
C 5.398120 1.013157 -0.830538
C 4.117787 1.116894 -1.460153
C -3.933735 -2.251127 -0.026730
C 6.868893 -0.062291 0.861471
C 6.512305 1.823320 -1.231596
C 7.934864 0.740994 0.448945
C 7.755074 1.691819 -0.606943
C -4.508374 0.089330 0.533866
C -5.636339 0.394499 -0.284519
C -3.643311 1.139208 0.936484
C -5.877674 1.729600 -0.688228
C -3.884161 2.472458 0.539075
C -4.998844 2.758101 -0.275271
C -7.623851 -0.442165 -1.448702
C -2.726120 0.443946 3.090335
H 0.538990 -0.073608 0.584215
H 0.054992 -2.446273 1.419353
H 0.106359 -3.016292 -0.271847
H -0.100122 -0.333325 -1.835937
H 1.220948 -1.554495 -2.040859
H -1.782748 -0.881694 0.646586
H -2.528718 -3.235528 1.295090
H -2.318462 -3.610524 -0.442595
H 4.574966 -1.471372 1.468676
H 3.958539 1.821834 -2.282863
H -3.974390 -1.801216 -1.033793
H -4.699344 -3.040351 0.065068
H 7.005464 -0.790346 1.670220
H 6.373585 2.550662 -2.040563
H 8.914031 0.646885 0.931594
H 8.598429 2.316172 -0.922379
H -6.739730 1.975599 -1.314830
H -3.185826 3.251524 0.857881
H -5.189641 3.787931 -0.594567
H -7.353588 -0.018232 -2.435315
H -8.101026 -1.423737 -1.584186
H -8.319698 0.242739 -0.926946
H -3.338226 -0.474055 3.123807
H -3.231424 1.265263 3.632261
H -1.731910 0.263675 3.527537


