%chk=000049744.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049744

0 1
 O   0.6558000     -7.9300001E-02  0.2001000    
 O   -4.036800     -0.7021000      0.6914000    
 O    1.251100      -4.055300     -0.4606000    
 N   -2.944800       1.644900     -6.9399998E-02
 C   -1.825600       1.076800      0.6810000    
 C   -1.672000     -0.3917000      0.4434000    
 C  -0.4120000     -0.9406000      0.2041000    
 C   -2.749100       1.449100      -1.505400    
 C   -3.096000       3.067100      0.2366000    
 C  -0.2795000      -2.310600     -1.6400000E-02
 C   -2.796300      -1.217400      0.4604000    
 C   -1.402700      -3.140800      9.9999997E-05
 C   -2.661700      -2.588800      0.2393000    
 C   -3.913400       2.040700      -2.276500    
 C   -3.359600       3.257300       1.718000    
 C    1.061000      -2.863000     -0.2642000    
 C    1.919700     -0.5954000     -4.2300001E-02
 C    2.176200      -1.894800     -0.2617000    
 C    2.995300      0.4160000     -1.8800000E-02
 C    4.282100      6.2799998E-02  0.3955000    
 C    2.731400       1.730900     -0.4106000    
 C    5.298200       1.018100      0.4180000    
 C    3.747600       2.686200     -0.3881000    
 C    5.031000       2.329700      2.6200000E-02
 H   -1.970900       1.168100       1.763600    
 H  -0.9096000       1.631100      0.4429000    
 H   -1.812400       1.903000      -1.854300    
 H   -2.709500      0.3873000      -1.769200    
 H   -2.220300       3.653600     -6.8200000E-02
 H   -3.970900       3.489900     -0.2667000    
 H   -1.317400      -4.210200     -0.1698000    
 H   -3.536100      -3.234100      0.2519000    
 H   -4.879700       1.743300      -1.854300    
 H   -3.867700       3.132400      -2.340700    
 H   -3.888000       1.674000      -3.309400    
 H   -4.131200       2.573700       2.089300    
 H   -2.456600       3.141700       2.325200    
 H   -3.719800       4.277200       1.896300    
 H    3.163400      -2.293700     -0.4631000    
 H   -3.979700      0.2263000      0.9656000    
 H    4.525700     -0.9424000      0.7292000    
 H    1.742500       2.034500     -0.7455000    
 H    6.296500      0.7423000      0.7453000    
 H    3.540300       3.707300     -0.6946000    
 H    5.822000       3.073800      4.4500001E-02


%chk=000049744-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000049744

0 1
O 0.838974 -0.097997 0.176149
O -3.971282 -0.395962 0.435430
O 1.245745 -4.259774 0.113975
N -2.911593 1.805136 -0.217265
C -1.626058 1.292202 0.392652
C -1.548321 -0.225978 0.308990
C -0.318275 -0.911400 0.233402
C -2.838456 1.778677 -1.721901
C -3.284526 3.154678 0.320833
C -0.221026 -2.328087 0.220796
C -2.742153 -1.013032 0.378783
C -1.428070 -3.076415 0.303282
C -2.669222 -2.438312 0.380252
C -4.224646 1.775294 -2.388857
C -3.893656 3.090901 1.733130
C 1.099870 -2.989282 0.133632
C 2.108835 -0.699900 0.092046
C 2.243784 -2.069657 0.075635
C 3.195164 0.303146 0.043327
C 4.519307 -0.074880 -0.314183
C 2.934695 1.666078 0.356165
C 5.552921 0.881738 -0.347177
C 3.971919 2.620926 0.321653
C 5.286095 2.234609 -0.028459
H -1.621740 1.603384 1.454699
H -0.746945 1.762176 -0.092076
H -2.226695 2.635841 -2.080089
H -2.300857 0.854058 -1.999095
H -2.392690 3.821115 0.309687
H -4.023525 3.593466 -0.371487
H -1.341663 -4.167856 0.300025
H -3.605297 -3.000512 0.439874
H -4.818503 0.910343 -2.045212
H -4.797596 2.697018 -2.181273
H -4.108726 1.698747 -3.484914
H -4.802418 2.464310 1.742706
H -3.188852 2.676898 2.475730
H -4.169165 4.107252 2.067773
H 3.237348 -2.521699 0.037177
H -3.767388 0.654766 0.203130
H 4.741173 -1.112790 -0.582719
H 1.919710 1.963139 0.634068
H 6.566185 0.574343 -0.627503
H 3.756466 3.665785 0.571057
H 6.091653 2.976407 -0.055746


