%chk=000049457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049457

0 1
 O    3.235500       3.118000      -1.321800    
 O  -0.4732000      0.5644000      0.5867000    
 O    2.603700      -3.023000      4.5800000E-02
 O   -3.557100      -1.725700     -0.7455000    
 N    2.101300      0.9993000      0.2035000    
 C    2.148200     -0.3286000      0.8120000    
 C    2.234000      0.9090000      -1.257300    
 C    3.156400       1.862300      0.7524000    
 C    1.050500      -1.216400      0.3182000    
 C    2.195000       2.306700      -1.868500    
 C    3.094600       3.237700      9.4200000E-02
 C  -0.2556000     -0.7350000      0.2185000    
 C   -1.270000      -1.566100     -0.2419000    
 C    1.335200      -2.533000     -4.4100001E-02
 C   -2.833800      0.3855000      8.5800000E-02
 C   -1.758600       1.081900      0.5081000    
 C   -2.635100      -1.031300     -0.3360000    
 C  -0.9899000      -2.885900     -0.6065000    
 C   0.3163000      -3.366500     -0.5057000    
 C   -4.245400      0.8901000      1.6500000E-02
 C   -1.797000       2.522900      0.9291000    
 C   -4.554500       1.503300      -1.334800    
 C   -2.076600       2.663900       2.411800    
 C    2.976100      -3.633600       1.279600    
 H    2.032000     -0.2424000       1.900500    
 H    3.137200     -0.7698000      0.6387000    
 H    1.427800      0.3312000      -1.719800    
 H    3.185100      0.4272000      -1.521000    
 H    4.144400       1.418200      0.5743000    
 H    3.026400       1.980200       1.834200    
 H    2.355500       2.245800      -2.949600    
 H    1.225600       2.793100      -1.703600    
 H    2.155500       3.755000      0.3263000    
 H    3.915900       3.862800      0.4588000    
 H   -1.769700      -3.550000     -0.9683000    
 H   0.5328000      -4.392800     -0.7902000    
 H   -4.959100      8.6400002E-02  0.2324000    
 H   -4.423600       1.640900      0.7945000    
 H  -0.8400000       3.003100      0.6892000    
 H   -2.552700       3.077700      0.3624000    
 H   -5.584200       1.874900      -1.353200    
 H   -4.450800      0.7673000      -2.139300    
 H   -3.891500       2.345100      -1.559300    
 H   -2.092300       3.721800       2.693600    
 H   -1.302200       2.170400       3.009000    
 H   -3.043200       2.229900       2.686900    
 H    4.030700      -3.915700       1.217200    
 H    2.382000      -4.536800       1.451000    
 H    2.849300      -2.938400       2.115500    


%chk=000049457-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049457

0 1
O 4.213691 2.705615 -1.458862
O -0.844820 0.772713 0.844690
O 2.625668 -2.485414 0.418539
O -3.769937 -1.823591 -0.594633
N 2.321753 1.139796 0.093787
C 1.894208 0.156134 1.132467
C 3.117876 0.522845 -0.998322
C 3.067917 2.271074 0.701710
C 0.893509 -0.856234 0.605517
C 3.463338 1.584781 -2.053218
C 3.417170 3.308681 -0.377806
C -0.476053 -0.526106 0.461686
C -1.452756 -1.434205 -0.024875
C 1.267031 -2.181034 0.253428
C -3.186960 0.356606 0.268906
C -2.186871 1.187547 0.731414
C -2.871090 -1.026887 -0.152207
C -1.026967 -2.739442 -0.374463
C 0.313231 -3.121534 -0.236064
C -4.630422 0.805113 0.133688
C -2.316911 2.611320 1.212383
C -4.956492 1.307629 -1.298079
C -2.334996 2.714586 2.762115
C 3.076082 -3.844686 0.101456
H 1.416289 0.737910 1.941779
H 2.766724 -0.386605 1.563473
H 2.522263 -0.280909 -1.467679
H 4.060915 0.064443 -0.607967
H 4.013599 1.926511 1.194007
H 2.432851 2.744416 1.475405
H 4.123309 1.170972 -2.833717
H 2.528108 1.966745 -2.516652
H 2.480415 3.735943 -0.797145
H 4.043146 4.117567 0.034608
H -1.785604 -3.433555 -0.750183
H 0.617753 -4.136016 -0.506226
H -5.268810 -0.072148 0.344784
H -4.878111 1.584855 0.876377
H -1.458945 3.187414 0.818271
H -3.234016 3.058130 0.794247
H -6.021500 1.592445 -1.378339
H -4.759638 0.509218 -2.033973
H -4.342472 2.187116 -1.567756
H -2.397973 3.771635 3.076322
H -1.416110 2.279888 3.192608
H -3.201434 2.175849 3.185456
H 4.153606 -3.843568 0.321066
H 2.913255 -4.083564 -0.966740
H 2.566085 -4.594997 0.735015


