%chk=000040232.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040232

0 1
 O   3.3100002E-02  -2.477300      3.9999999E-04
 O    2.350100      -3.628700      7.9999998E-04
 O    3.506900      -1.682900     -9.9999997E-05
 O   -3.370800      -1.711100     -1.0000000E-03
 O   -2.295700      -3.629900     -6.0000003E-04
 N   -2.288500      -2.365300     -1.9999999E-04
 C   0.7081000     -0.3349000      9.9999997E-05
 C  -0.7061000     -0.3549000     -9.9999997E-05
 C    1.620200      0.7748000     -9.9999997E-05
 C   -1.650400      0.7254000      9.9999997E-05
 C    1.110600      -1.649100      3.0000001E-04
 C   -1.068400      -1.681800      9.9999997E-05
 C    2.062800       1.313900       1.207800    
 C    2.063400       1.313000      -1.208000    
 C   -2.110100       1.251900      -1.207900    
 C   -2.110700       1.251100       1.208000    
 C    2.400400      -2.255700      1.9999999E-04
 C    2.948700       2.391300       1.207800    
 C    2.949400       2.390400      -1.208100    
 C   -3.028300       2.302100      -1.207800    
 C   -3.029000       2.301200       1.208200    
 C    3.392000       2.929600     -1.9999999E-04
 C   -3.487700       2.826600      1.9999999E-04
 H    1.726500      0.9065000       2.158400    
 H    1.727700      0.9051000      -2.158500    
 H   -1.761800      0.8550000      -2.158600    
 H   -1.762900      0.8536000       2.158700    
 H    3.293200       2.811300       2.148300    
 H    3.294500       2.809700      -2.148700    
 H   -3.385400       2.711400      -2.148200    
 H   -3.386600       2.709800       2.148800    
 H    4.081700       3.768600     -3.0000001E-04
 H   -4.202500       3.644300      3.9999999E-04
 H    3.248600      -4.022600      8.9999998E-04


%chk=000040232-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040232

0 1
O 0.030343 -2.682822 0.000289
O 2.456769 -3.799427 0.000422
O 3.551217 -1.738239 -0.000156
O -3.414947 -1.741015 -0.000407
O -2.402180 -3.801643 -0.000511
N -2.373491 -2.511680 0.000461
C 0.719854 -0.480619 0.000068
C -0.732941 -0.499973 0.000247
C 1.572361 0.739224 -0.000135
C -1.620395 0.693567 0.000280
C 1.140603 -1.818214 0.000145
C -1.085417 -1.852914 0.000400
C 1.972505 1.331840 1.223490
C 1.973742 1.330579 -1.223965
C -2.034124 1.275621 -1.223630
C -2.036103 1.274097 1.224245
C 2.489798 -2.405133 0.000130
C 2.769223 2.497206 1.222028
C 2.770455 2.495947 -1.222902
C -2.860123 2.420380 -1.222066
C -2.862074 2.418871 1.222773
C 3.170618 3.082225 -0.000536
C -3.276994 2.994703 0.000375
H 1.669148 0.876293 2.172755
H 1.671378 0.874031 -2.173065
H -1.719563 0.827712 -2.172800
H -1.723106 0.824989 2.173364
H 3.077996 2.944891 2.172827
H 3.080191 2.942649 -2.173850
H -3.179774 2.860092 -2.172971
H -3.183249 2.857408 2.173708
H 3.791177 3.984968 -0.000688
H -3.920453 3.881220 0.000408
H 3.390555 -4.144434 0.000365