%chk=000053153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053153

0 1
 O    2.172100      0.7561000       2.047500    
 O  -0.3578000      -2.784300      0.1069000    
 O  -0.6330000       3.218700      -1.233900    
 O   -2.281800      -1.337400       1.034500    
 O   -4.205700      0.2520000     -1.9200001E-02
 O   0.4945000      -4.349800      -1.350100    
 N    4.228900      0.8210000     -3.3000000E-02
 N    1.267300       1.344300     -8.2999997E-02
 N   -1.593400      -4.604200     -0.4212000    
 C    3.106200     -0.1176000      1.9400001E-02
 C    3.282900      0.8131000      -1.135300    
 C    1.853100      0.2633000      0.7461000    
 C    2.148300       1.794400      -1.156700    
 C   0.6844000     -0.7713000      0.8609000    
 C  -0.1001000       1.204300     -0.1421000    
 C  -0.5002000      5.8800001E-02  0.4080000    
 C    5.455100      0.1347000     -0.4054000    
 C   0.8237000      -2.014700     -1.4900000E-02
 C   -1.028600       2.168000     -0.7407000    
 C   -1.914900     -0.3011000      0.4918000    
 C    1.055000       1.395600       2.644500    
 C   -2.486200       1.802400     -0.7027000    
 C   -2.888700      0.6541000     -0.1170000    
 C   -3.387400       2.812300      -1.359900    
 C  -0.4044000      -3.947000     -0.6194000    
 C   -4.789500      0.7341000       1.175100    
 H    3.329000      -1.168800     -5.3300001E-02
 H    3.576500      0.4345000      -2.103000    
 H    2.495000       2.815300     -0.9679000    
 H    1.642300       1.761700      -2.127700    
 H   0.5300000      -1.105500       1.893900    
 H    5.942200     -0.2577000      0.4939000    
 H    6.147800      0.8477000     -0.8655000    
 H    5.332300     -0.7024000      -1.105100    
 H    1.672700      -2.617100      0.3275000    
 H   0.9753000      -1.742500      -1.067000    
 H   0.2091000      0.7378000       2.852400    
 H   0.7561000       2.310100       2.124400    
 H    1.395600       1.732900       3.630700    
 H   -4.434000       2.491900      -1.356100    
 H   -3.096600       2.963500      -2.404800    
 H   -3.331600       3.772500     -0.8366000    
 H   -5.827000      0.3882000       1.210200    
 H   -4.800100       1.829300       1.202500    
 H   -4.275600      0.3436000       2.060300    
 H   -2.307700      -4.229200      0.1938000    
 H   -1.794500      -5.484100     -0.8841000    


%chk=000053153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053153

0 1
O 2.325440 0.766443 1.969601
O -0.506472 -2.745688 0.204405
O -0.469549 3.207667 -1.636314
O -2.472827 -0.874508 1.518264
O -4.261797 0.994589 0.191988
O 0.331206 -4.412771 -1.241673
N 4.219904 0.766499 -0.110268
N 1.282189 1.364024 -0.194622
N -1.767763 -4.581956 -0.183562
C 3.067988 -0.210079 -0.096874
C 3.282534 0.717695 -1.289445
C 1.839690 0.264112 0.693304
C 2.225043 1.830743 -1.248961
C 0.606115 -0.707403 0.877541
C -0.089880 1.280109 -0.233075
C -0.571204 0.176590 0.467847
C 5.561658 0.156737 -0.296262
C 0.726472 -1.968898 -0.002876
C -0.976908 2.271414 -0.923460
C -1.975989 0.022523 0.745745
C 1.364761 1.538880 2.771252
C -2.418928 2.092180 -0.731408
C -2.888371 1.043392 0.057698
C -3.364384 3.065260 -1.395971
C -0.570492 -3.973114 -0.484665
C -5.005145 -0.074048 0.899830
H 3.297039 -1.278037 -0.160944
H 3.637510 0.331682 -2.252296
H 2.684200 2.793983 -0.969271
H 1.682654 1.959563 -2.198997
H 0.551404 -1.031163 1.931268
H 5.942827 -0.145322 0.694069
H 6.236950 0.923946 -0.713146
H 5.579252 -0.732566 -0.969257
H 1.591483 -2.590285 0.295756
H 0.826369 -1.716139 -1.075414
H 0.492769 0.930577 3.083646
H 1.015399 2.430220 2.217805
H 1.929695 1.855209 3.661284
H -3.968298 3.608963 -0.646344
H -4.079536 2.539369 -2.054367
H -2.789839 3.792858 -1.990594
H -6.058722 0.190490 0.718200
H -4.768342 -0.072232 1.974401
H -4.765046 -1.065051 0.483233
H -2.416840 -4.128472 0.456337
H -1.977616 -5.486485 -0.594710


