%chk=000104439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104439

0 1
 O   -1.740600      -2.371400     -0.1411000    
 O    3.867400      0.5213000      6.7299999E-02
 N  -0.8453000       1.628400     -9.4899997E-02
 C   -2.594400     -0.1185000      7.6899998E-02
 C   -2.141200       1.183000     -0.5989000    
 C   -1.497900      -1.169600     -7.6499999E-02
 C   0.1854000      0.6913000     -6.6100001E-02
 C  -8.9400001E-02 -0.6922000     -7.9599999E-02
 C   -2.871800      8.7200001E-02   1.574000    
 C   -3.878700     -0.6118000     -0.6096000    
 C  -0.5769000       3.058000     -6.1700001E-02
 C    1.542100       1.064400     -5.9000002E-03
 C   0.9388000      -1.647600     -6.3900001E-02
 C    2.569200      0.1151000      1.3400000E-02
 C    2.267500      -1.239900     -1.9900000E-02
 C    4.865900     -0.4975000      8.6599998E-02
 H   -2.063000       1.046200      -1.686400    
 H   -2.900300       1.959000     -0.4371000    
 H   -1.976300      0.4055000       2.118700    
 H   -3.647300      0.8449000       1.731400    
 H   -3.212200     -0.8442000       2.041400    
 H   -4.672500      0.1414000     -0.5532000    
 H   -3.700400     -0.8368000      -1.667500    
 H   -4.256500      -1.528700     -0.1427000    
 H   3.3500001E-02   3.326100      0.8076000    
 H   -1.505500       3.633100      2.2500001E-02
 H  -6.8999998E-02   3.380800     -0.9769000    
 H    1.829500       2.113500      1.4800000E-02
 H   0.7207000      -2.712200     -7.5300001E-02
 H    3.011700      -2.028500     -7.3000002E-03
 H    4.853800      -1.090700     -0.8341000    
 H    4.787500      -1.121300      0.9836000    
 H    5.838200      3.8999999E-03  0.1305000    


%chk=000104439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104439

0 1
O -1.864818 -2.446017 -0.170324
O 3.862655 0.560653 0.130182
N -0.835877 1.616634 -0.107776
C -2.644909 -0.126595 0.062101
C -2.159984 1.185154 -0.601998
C -1.553566 -1.214032 -0.114317
C 0.179482 0.662587 -0.067794
C -0.152832 -0.744499 -0.120195
C -2.841795 0.075622 1.593799
C -3.967781 -0.577487 -0.592891
C -0.514271 3.047899 -0.129542
C 1.547661 1.037443 0.020327
C 0.895441 -1.699536 -0.102619
C 2.558958 0.054808 0.046266
C 2.246197 -1.333362 -0.021577
C 4.971302 -0.399554 0.139833
H -2.129337 1.039833 -1.707298
H -2.888681 1.989195 -0.389539
H -1.916235 0.434504 2.077640
H -3.640386 0.819361 1.777572
H -3.138954 -0.876568 2.067119
H -4.782715 0.132279 -0.357295
H -3.868977 -0.647010 -1.692312
H -4.245479 -1.578037 -0.222910
H 0.115386 3.320486 0.737236
H -1.449210 3.627581 -0.062256
H 0.020381 3.355369 -1.054377
H 1.859824 2.083565 0.046530
H 0.600803 -2.754167 -0.139928
H 3.026385 -2.098434 -0.004889
H 4.989227 -1.001575 -0.788605
H 4.913615 -1.070140 1.018281
H 5.880490 0.216238 0.201658


