%chk=000050961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050961

0 1
 O    5.631200      0.3050000      1.5000000E-03
 O    4.299100       2.049700     -9.9999997E-05
 N    4.486700      0.8121000      3.9999999E-04
 C  -0.3893000      2.3000001E-03 -9.9999997E-05
 C   0.9520000     -0.4745000     -1.9999999E-04
 C   -1.486400     -0.8998000      9.9999997E-05
 C  -0.6164000       1.395700     -9.9999997E-05
 C    2.038300      0.4344000     -3.9999999E-04
 C    1.212500      -1.861700       0.000000    
 C   -2.828600     -0.3829000       0.000000    
 C   -3.027400       1.020000      9.9999997E-05
 C   -1.926300       1.882500       0.000000    
 C   -1.176900      -2.279300      9.9999997E-05
 C   0.4698000       2.281400     -3.9999999E-04
 C   0.1383000      -2.750800       0.000000    
 C    1.780200       1.807900     -6.0000003E-04
 C    3.353300     -5.3399999E-02 -6.0000003E-04
 C    2.537400      -2.323300     -9.9999997E-05
 C    3.600300      -1.423800     -3.0000001E-04
 C   -3.994900      -1.190200     -1.9999999E-04
 C   -4.326200       1.558300      3.0000001E-04
 C   -5.280500     -0.6426000      9.9999997E-05
 C   -5.446200      0.7331000      3.9999999E-04
 H   -2.092500       2.960300      9.9999997E-05
 H   -1.961300      -3.031900      9.9999997E-05
 H   0.3014000       3.357300     -6.0000003E-04
 H   0.3070000      -3.825900       0.000000    
 H    2.457800       2.642300     -1.2000001E-03
 H    2.752200      -3.389900       0.000000    
 H    4.604800      -1.839600     -3.0000001E-04
 H   -3.927900      -2.275100     -3.9999999E-04
 H   -4.478000       2.636300      5.0000002E-04
 H   -6.148000      -1.296100      9.9999997E-05
 H   -6.442400       1.164700      6.9999998E-04


%chk=000050961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050961

0 1
O 5.777540 0.133336 0.000953
O 4.570783 2.053816 -0.000998
N 4.640779 0.759271 -0.000228
C -0.395744 0.037292 -0.000076
C 0.968215 -0.437116 -0.000128
C -1.499420 -0.883527 -0.000016
C -0.653714 1.465091 -0.000075
C 2.081963 0.500731 -0.000215
C 1.211077 -1.858983 -0.000096
C -2.865911 -0.380069 0.000042
C -3.090771 1.052915 0.000050
C -1.975489 1.939592 -0.000010
C -1.209387 -2.293103 -0.000003
C 0.470315 2.368843 -0.000133
C 0.095126 -2.762232 -0.000041
C 1.776157 1.920789 -0.000214
C 3.403838 -0.057821 -0.000192
C 2.550934 -2.346793 -0.000104
C 3.626563 -1.462446 -0.000124
C -4.015570 -1.234809 0.000093
C -4.432393 1.564487 0.000115
C -5.312518 -0.711431 0.000150
C -5.527393 0.701900 0.000164
H -2.156861 3.021558 -0.000005
H -2.028561 -3.016971 0.000049
H 0.269405 3.446589 -0.000132
H 0.294890 -3.839498 -0.000019
H 2.603755 2.627401 -0.000316
H 2.727918 -3.427431 -0.000099
H 4.659138 -1.817283 -0.000092
H -3.891361 -2.321348 0.000081
H -4.579386 2.650783 0.000122
H -6.172806 -1.389480 0.000184
H -6.548012 1.098447 0.000213


