%chk=000131437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131437

0 1
 O   0.9599000       2.149600       1.069800    
 N  -0.3528000      4.4999998E-03 -0.4214000    
 N   -1.416500      0.8252000     -0.4525000    
 C   0.9539000      0.5411000     -0.7272000    
 C    1.704900       1.071100      0.5026000    
 C  -0.6595000      -1.283200     -9.2200004E-02
 C   -2.434200      2.0000000E-02 -0.1290000    
 C   -2.018400      -1.306200      0.1065000    
 C    3.098800       1.563700      0.1854000    
 C   0.3133000      -2.344500      6.0999999E-03
 C   -3.775300      0.5278000     -5.1100001E-02
 C    4.161500      0.6785000      0.2527000    
 C    3.284400       2.890300     -0.1654000    
 C   0.6174000      -3.118300      -1.113600    
 C   0.9482000      -2.596500       1.221900    
 C   -4.855200     -0.3077000     -0.3366000    
 C   -3.998200       1.856500      0.3104000    
 C    5.447500       1.133000     -3.9400000E-02
 C    4.570300       3.345000     -0.4577000    
 C    1.557100      -4.144700      -1.017500    
 C    1.887900      -3.622800       1.318100    
 C    5.651800       2.466200     -0.3946000    
 C    2.192300      -4.397000      0.1985000    
 C   -6.157800      0.1852000     -0.2607000    
 C   -5.300800       2.349500      0.3863000    
 C   -6.380600       1.513800      0.1007000    
 H   0.7988000       1.348400      -1.455500    
 H    1.534200     -0.2335000      -1.240500    
 H    1.769400      0.3016000       1.280700    
 H   -2.612600      -2.165000      0.3876000    
 H    4.010700     -0.3620000      0.5260000    
 H    2.457600       3.590700     -0.2363000    
 H   0.1315000      -2.934000      -2.068800    
 H   0.7214000      -2.003300       2.104600    
 H   0.1207000       1.789300       1.403300    
 H   -4.713900      -1.344700     -0.6310000    
 H   -3.177800       2.529800      0.5471000    
 H    6.289400      0.4486000      8.7000001E-03
 H    4.729400       4.382200     -0.7378000    
 H    1.794500      -4.747300      -1.889200    
 H    2.382800      -3.819100       2.264800    
 H    6.652900       2.819900     -0.6232000    
 H    2.924100      -5.196000      0.2734000    
 H   -6.998700     -0.4645000     -0.4853000    
 H   -5.474900       3.383500      0.6696000    
 H   -7.394900       1.897800      0.1597000    


%chk=000131437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131437

0 1
O 0.584815 2.687861 -0.133100
N -0.136507 -0.218610 -0.369800
N -1.204491 0.669332 -0.274705
C 1.218791 0.336924 -0.570576
C 1.459360 1.606984 0.302017
C -0.539915 -1.533738 -0.142801
C -2.304282 -0.101786 0.016493
C -1.924465 -1.476010 0.111522
C 2.913355 2.049905 0.173874
C 0.347996 -2.712034 -0.186309
C -3.637194 0.508092 0.183513
C 3.939233 1.321106 0.827006
C 3.255989 3.172070 -0.616821
C 1.334449 -2.881237 -1.197736
C 0.187823 -3.736818 0.787056
C -4.738806 -0.269843 0.631941
C -3.846243 1.886549 -0.097029
C 5.291734 1.701984 0.683841
C 4.609551 3.554747 -0.758934
C 2.145291 -4.036188 -1.223778
C 0.994356 -4.893412 0.754862
C 5.631410 2.820574 -0.113559
C 1.981063 -5.045895 -0.247480
C -6.013380 0.312677 0.794485
C -5.119451 2.468169 0.068635
C -6.210691 1.684924 0.514607
H 1.353423 0.619154 -1.632121
H 1.946860 -0.448731 -0.314135
H 1.245643 1.332227 1.360258
H -2.569579 -2.334225 0.281358
H 3.682909 0.462105 1.461682
H 2.448039 3.737967 -1.088989
H 1.442493 -2.128940 -1.986999
H -0.560558 -3.610902 1.577387
H -0.334435 2.271201 -0.199932
H -4.599460 -1.331904 0.862606
H -3.005685 2.492117 -0.450231
H 6.076564 1.134683 1.197076
H 4.866307 4.428962 -1.368290
H 2.896146 -4.152140 -2.012912
H 0.859664 -5.670713 1.514995
H 6.680001 3.120290 -0.222569
H 2.610427 -5.942141 -0.270139
H -6.851254 -0.302074 1.141955
H -5.262491 3.531798 -0.152097
H -7.200306 2.137439 0.641876


