%chk=000059491.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059491

0 1
 O    1.486600       1.913400     -0.9532000    
 O  -0.7484000     -0.5025000      0.4914000    
 O  -5.0099999E-02 -0.1397000      -1.673800    
 N   -4.226100     -0.4873000     -0.8126000    
 C  -6.0400002E-02   2.293700      0.8113000    
 C   0.4632000       3.678000      0.9496000    
 C  -0.6501000       3.381900     -1.2100000E-02
 C   0.8086000       1.264900      0.1223000    
 C    1.870900      0.7197000       1.103900    
 C  -3.1199999E-02  0.1405000     -0.4813000    
 C   -1.990000      -1.063700      7.9400003E-02
 C   -2.629200      -1.759300       1.277100    
 C   -2.899500      3.9600000E-02 -0.4689000    
 C    2.866100     -0.2436000      0.4957000    
 C   -4.035400      -2.232000      0.9324000    
 C   -4.877700      -1.091500      0.3580000    
 C    2.583700      -1.598900      0.4981000    
 C    4.038600      0.2503000     -4.9899999E-02
 C   -5.066000      0.5684000      -1.378100    
 C    3.501600      -2.487300     -6.2300000E-02
 C    4.956500     -0.6380000     -0.6104000    
 C    4.688000      -2.006700     -0.6165000    
 H  -0.6435000       1.895700       1.632400    
 H   0.2132000       4.222900       1.852700    
 H    1.431600       3.937900      0.5416000    
 H  -0.4394000       3.445700      -1.071700    
 H   -1.644400       3.725700      0.2500000    
 H    1.383700      0.2371000       1.962500    
 H    2.435800       1.558800       1.534400    
 H   -1.797700      -1.816300     -0.6976000    
 H    1.959800       1.242700      -1.473300    
 H   -2.008100      -2.603900       1.598100    
 H   -2.663700      -1.071300       2.132000    
 H   -2.975900      0.8558000      0.2632000    
 H   -2.454500      0.4819000      -1.367200    
 H   -4.520100      -2.635000       1.828700    
 H   -3.978300      -3.050600      0.2038000    
 H   -5.056800     -0.3386000       1.136900    
 H   -5.853700      -1.500300      6.9499999E-02
 H    1.666500      -1.985700      0.9320000    
 H    4.257500       1.314200     -4.9899999E-02
 H   -5.235000       1.387300     -0.6696000    
 H   -4.606800      0.9835000      -2.282200    
 H   -6.039700      0.1659000      -1.678700    
 H    3.293200      -3.553200     -6.5899998E-02
 H    5.880300     -0.2640000      -1.042000    
 H    5.402800      -2.698400      -1.052600    


%chk=000059491-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059491

0 1
O 1.876878 2.319258 -0.783975
O -0.834045 0.192845 0.458296
O -0.077294 0.721926 -1.685311
N -4.196659 -0.798380 -0.948756
C 0.293130 2.865986 1.008717
C 0.991584 4.213670 1.218562
C -0.204928 4.105467 0.258543
C 1.031121 1.741350 0.261929
C 1.919700 0.927394 1.256768
C -0.006762 0.835826 -0.434263
C -1.882361 -0.728168 -0.109123
C -2.210053 -1.742588 0.990560
C -3.116388 0.107327 -0.500795
C 2.594873 -0.292955 0.651801
C -3.405029 -2.619061 0.543308
C -4.601040 -1.741824 0.120785
C 2.150759 -1.600944 0.977318
C 3.680183 -0.151082 -0.253133
C -5.335778 -0.065735 -1.534395
C 2.771362 -2.740056 0.415463
C 4.300317 -1.287421 -0.818267
C 3.849067 -2.586619 -0.486560
H -0.336137 2.494959 1.825153
H 0.854451 4.722746 2.177096
H 1.973619 4.337207 0.754141
H 0.022435 4.170740 -0.808893
H -1.163297 4.537561 0.560201
H 1.284639 0.627984 2.109833
H 2.671519 1.646371 1.631923
H -1.463585 -1.211744 -1.009567
H 1.557633 1.953556 -1.656549
H -1.323361 -2.363624 1.212121
H -2.473274 -1.191493 1.915137
H -3.420927 0.729485 0.382083
H -2.853399 0.788684 -1.328668
H -3.706275 -3.290855 1.368644
H -3.108656 -3.251904 -0.314474
H -4.997263 -1.195468 1.018768
H -5.418319 -2.377349 -0.267128
H 1.317097 -1.724124 1.680379
H 4.026431 0.855246 -0.510294
H -5.855428 0.603998 -0.803258
H -4.983659 0.555542 -2.376799
H -6.077140 -0.784419 -1.926817
H 2.419410 -3.743045 0.683599
H 5.137380 -1.160956 -1.514628
H 4.333971 -3.467613 -0.922272


