%chk=000052841.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052841

0 1
 O    2.492100     -0.5589000      -1.588000    
 O    3.122800      -1.402100      0.5337000    
 N   0.5878000      7.6200001E-02  0.5617000    
 C    1.908600      0.7118000      0.4123000    
 C    2.255500      0.7554000      -1.080800    
 C    2.926300     -0.1421000       1.177900    
 C    1.821000       2.118800       1.001300    
 C    3.497900      -1.223700     -0.8290000    
 C  -0.3400000      0.7168000     -5.5100001E-02
 C   -1.719600      0.2618000     -3.8500000E-02
 C   -2.701600      0.9825000     -0.7197000    
 C   -2.064900     -0.8966000      0.6588000    
 C   -4.026300      0.5457000     -0.7035000    
 C   -3.389500      -1.333500      0.6750000    
 C   -4.370200     -0.6123000     -6.2000002E-03
 H    1.499400       1.218500      -1.719300    
 H    3.171200       1.342200      -1.234400    
 H    3.897100      0.3638000       1.250400    
 H    2.583700     -0.3436000       2.199000    
 H    2.819500       2.567200       1.068600    
 H    1.216800       2.810800      0.4067000    
 H    1.403000       2.098900       2.014700    
 H    3.639300      -2.216600      -1.265600    
 H    4.453900     -0.6900000     -0.9006000    
 H  -0.1828000       1.648000     -0.6256000    
 H   -2.450700       1.886900      -1.268000    
 H   -1.324100      -1.480000       1.199000    
 H   -4.790000       1.107200      -1.233800    
 H   -3.657800      -2.235200       1.217800    
 H   -5.401500     -0.9525000      6.3999998E-03


%chk=000052841-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052841

0 1
O 2.359509 0.494327 -1.866688
O 2.615688 -1.370870 -0.357074
N 0.487238 0.559783 0.757920
C 1.938814 0.845873 0.613481
C 2.389813 1.461948 -0.747441
C 2.714642 -0.492549 0.820488
C 2.308768 1.825237 1.751144
C 3.140933 -0.685529 -1.527032
C -0.267530 0.317390 -0.281771
C -1.710807 0.021799 -0.134953
C -2.482212 -0.250471 -1.296524
C -2.345209 0.004806 1.138127
C -3.861630 -0.534081 -1.192033
C -3.721238 -0.276776 1.241344
C -4.484741 -0.547057 0.077258
H 1.711554 2.277699 -1.049482
H 3.421246 1.865909 -0.645131
H 3.784839 -0.268319 1.028803
H 2.279097 -1.058324 1.658114
H 3.395231 2.028532 1.780571
H 1.774213 2.783448 1.621689
H 1.996076 1.400570 2.720291
H 3.050135 -1.380026 -2.372595
H 4.200835 -0.386197 -1.339206
H 0.120476 0.311583 -1.318439
H -1.995165 -0.241451 -2.279972
H -1.734696 0.215898 2.022200
H -4.447961 -0.744375 -2.093436
H -4.205662 -0.287402 2.224406
H -5.555358 -0.765978 0.161141


