%chk=000013980.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013980

0 1
 O    2.180200       1.802300      -1.416600    
 O   0.8423000      -1.604900       1.420100    
 O   -1.795300     -0.1391000      -2.167300    
 N    1.600200     -5.9700001E-02 -0.1283000    
 N  -0.6094000     -0.9557000     -0.3063000    
 C    2.957700     -0.2227000      0.3332000    
 C    3.907400     -0.4491000     -0.8460000    
 C    3.387900      0.9837000       1.171300    
 C    5.357400     -0.5702000     -0.3846000    
 C    4.839100      0.8620000       1.629000    
 C    5.783600      0.6325000      0.4524000    
 C  -0.1297000       1.260600      -1.216300    
 C    1.334800       1.027600     -0.9684000    
 C  -0.7007000       2.176400     -0.1374000    
 C   0.6258000     -0.9437000      0.3990000    
 C  -0.9388000     -8.0000004E-03  -1.291600    
 C   -2.164300       2.521100     -0.4124000    
 C   -2.742400       3.411600      0.6887000    
 C   -1.556400      -2.017400     -3.7599999E-02
 C   -4.195800       3.784000      0.3970000    
 C   -2.915000      -1.788100     -0.2180000    
 C   -1.096000      -3.254400      0.3967000    
 C   -4.763700       4.696400       1.472300    
 C   -3.827200      -2.811400      3.9999999E-02
 C   -2.008100      -4.277800      0.6546000    
 C   -3.373700      -4.056100      0.4762000    
 H    3.030800      -1.112000      0.9718000    
 H    3.873900      0.3476000      -1.592900    
 H    3.621100      -1.366900      -1.375400    
 H    2.739000       1.070300       2.052000    
 H    3.289100       1.930600      0.6320000    
 H    5.476300      -1.486300      0.2070000    
 H    6.016200     -0.6669000      -1.255100    
 H    5.134100       1.769300       2.168200    
 H    4.929200      2.8200001E-02   2.336300    
 H    5.801800       1.528600     -0.1801000    
 H    6.803900      0.4816000      0.8224000    
 H  -0.2067000       1.749100      -2.197100    
 H  -0.6185000       1.707400      0.8516000    
 H  -0.1102000       3.100400     -8.8000000E-02
 H   -2.776900       1.615800     -0.4684000    
 H   -2.245800       3.030200      -1.380400    
 H   -2.681600       2.892500       1.653100    
 H   -2.140700       4.324700      0.7747000    
 H   -4.807300       2.876300      0.3342000    
 H   -4.263700       4.288900     -0.5737000    
 H   -3.319400     -0.8224000     -0.5024000    
 H  -4.3299999E-02  -3.500500      0.4855000    
 H   -4.194000       5.629000       1.536700    
 H   -5.804000       4.949000       1.244500    
 H   -4.739000       4.209900       2.452600    
 H   -4.891500      -2.635900     -8.7300003E-02
 H   -1.654800      -5.252000      0.9798000    
 H   -4.083800      -4.853200      0.6763000    


%chk=000013980-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013980

0 1
O 2.007041 1.848036 -1.401176
O 1.018287 -1.977532 1.118959
O -2.176902 -0.259930 -1.834805
N 1.554519 -0.041562 -0.092528
N -0.627973 -1.108098 -0.294836
C 2.981128 -0.147850 0.396214
C 3.955586 -0.475017 -0.762634
C 3.418816 1.101369 1.196885
C 5.387675 -0.666999 -0.205511
C 4.854024 0.893427 1.742580
C 5.849136 0.569990 0.601419
C -0.316421 1.183404 -1.198287
C 1.174955 1.018862 -0.942257
C -0.894238 2.201925 -0.143206
C 0.666162 -1.082783 0.309658
C -1.117355 -0.104135 -1.178208
C -2.314675 2.701770 -0.481208
C -2.840460 3.703029 0.572804
C -1.465689 -2.277316 -0.034811
C -4.257603 4.228224 0.246120
C -2.692260 -2.107162 0.640835
C -1.052927 -3.552341 -0.475033
C -4.783166 5.229691 1.296849
C -3.515841 -3.228725 0.878543
C -1.877137 -4.671102 -0.228222
C -3.109691 -4.512286 0.446678
H 2.965152 -1.009358 1.087864
H 3.945464 0.350203 -1.496582
H 3.620459 -1.394545 -1.280573
H 2.712317 1.271852 2.032260
H 3.396902 1.992750 0.545496
H 5.414071 -1.561457 0.450834
H 6.085741 -0.862811 -1.041712
H 5.175726 1.801443 2.287578
H 4.856859 0.060835 2.476249
H 5.921976 1.443732 -0.077676
H 6.860691 0.397609 1.016922
H -0.433711 1.637921 -2.196602
H -0.880833 1.737634 0.863634
H -0.197094 3.061556 -0.116116
H -3.013612 1.848014 -0.566566
H -2.300747 3.188660 -1.477364
H -2.852948 3.219170 1.572204
H -2.142471 4.562549 0.651487
H -4.954892 3.369580 0.167855
H -4.245618 4.709669 -0.752734
H -3.001033 -1.109692 0.969946
H -0.096479 -3.669333 -0.994051
H -4.119211 6.111590 1.371283
H -5.795909 5.590518 1.039771
H -4.834967 4.763733 2.299102
H -4.470349 -3.099904 1.399857
H -1.557762 -5.663503 -0.563700
H -3.748613 -5.382106 0.634109


