%chk=000095056.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095056

0 1
 O    4.924400      3.4100000E-02 -1.7200001E-02
 N   -3.547100      0.1221000     -0.3042000    
 C   -2.920300       1.023900      0.6668000    
 C   -1.445700       1.244500      0.2968000    
 C  -0.7118000     -4.3699998E-02  1.0000000E-03
 C   -2.914100      -1.205100     -0.2645000    
 C   -1.409300      -1.166800     -0.2540000    
 C   0.7706000     -2.3700001E-02 -4.1999999E-03
 C   -4.986000      1.6200000E-02 -7.2600000E-02
 C    1.488700      -1.169200      0.3459000    
 C    1.454400       1.141400     -0.3588000    
 C    2.883500      -1.149700      0.3414000    
 C    2.849100       1.160800     -0.3633000    
 C    3.563700      1.5300000E-02 -1.3200000E-02
 H   -2.998700      0.6213000       1.685800    
 H   -3.422500       1.999100      0.6637000    
 H  -0.9658000       1.774300       1.129100    
 H   -1.396100       1.896100     -0.5852000    
 H   -3.232300      -1.767800      -1.150500    
 H   -3.239300      -1.771700      0.6180000    
 H  -0.9196000      -2.109800     -0.4778000    
 H   -5.217900     -0.3816000      0.9220000    
 H   -5.449100     -0.6355000     -0.8218000    
 H   -5.463900      0.9972000     -0.1707000    
 H   0.9975000      -2.089100      0.6512000    
 H   0.9310000       2.048600     -0.6475000    
 H    3.428900      -2.047100      0.6213000    
 H    3.373700       2.070500     -0.6427000    
 H    5.252500     -0.8417000      0.2500000    


%chk=000095056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095056

0 1
O 5.025073 0.104227 -0.028583
N -3.589787 0.096276 -0.266474
C -2.920442 1.045447 0.648804
C -1.459961 1.266497 0.212404
C -0.727484 -0.057611 0.008835
C -2.968319 -1.243357 -0.218989
C -1.457629 -1.195147 -0.187576
C 0.762527 -0.047849 0.014450
C -5.049891 0.036593 -0.084923
C 1.527600 -1.215796 0.292913
C 1.483772 1.151971 -0.255161
C 2.935780 -1.198082 0.283061
C 2.890920 1.187246 -0.270638
C 3.620632 0.008130 -0.004240
H -2.939655 0.682618 1.710309
H -3.471769 2.003714 0.619341
H -0.939603 1.877068 0.976261
H -1.453600 1.848209 -0.731001
H -3.301477 -1.816700 -1.108533
H -3.322609 -1.831660 0.674882
H -0.956019 -2.155621 -0.362139
H -5.358325 -0.342293 0.923853
H -5.492138 -0.632124 -0.846029
H -5.485211 1.042550 -0.221420
H 1.016307 -2.150178 0.548247
H 0.937221 2.075011 -0.474180
H 3.496970 -2.114047 0.511310
H 3.436383 2.110543 -0.486761
H 5.439232 -0.772735 0.166778