%chk=000265570.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265570

0 1
O 2.917199 0.000897 0.711192
O -2.913626 -0.001427 -0.712420
O 4.545393 -2.336861 0.205457
O 4.547195 2.335850 0.198524
O -4.543034 -2.336088 -0.196197
O -4.542214 2.336625 -0.209149
N 4.193456 -0.000391 0.188856
N -4.189896 0.000242 -0.190167
C 0.613936 0.001977 0.457829
C -0.610361 -0.001518 -0.459054
C 1.900288 -0.000601 -0.365253
C -1.896716 0.001437 0.364024
C 6.369287 -0.713552 -0.117217
C 6.369833 0.710186 -0.119333
C -6.365929 -0.710391 0.120080
C -6.365681 0.713346 0.116132
C 4.973017 -1.220761 0.124729
C 4.973952 1.219186 0.121090
C -4.970030 -1.219414 -0.120211
C -4.969603 1.220540 -0.126970
C 7.530650 -1.427594 -0.319416
C 7.531744 1.422731 -0.323653
C -7.527617 -1.422914 0.325722
C -7.527120 1.427404 0.317816
C 8.726004 -0.698045 -0.525605
C 8.726537 0.691654 -0.527672
C -8.722492 -0.691823 0.529234
C -8.722249 0.697870 0.525380
H 0.603781 0.888737 1.126139
H 0.604221 -0.880171 1.132252
H -0.600349 -0.888447 -1.127154
H -0.600502 0.880460 -1.133687
H 2.026094 -0.908114 -0.976106
H 2.027270 0.904175 -0.979897
H -2.022792 0.909487 0.974019
H -2.023414 -0.902800 0.979523
H 7.534412 -2.518662 -0.319745
H 7.536343 2.513790 -0.327232
H -7.531992 -2.513969 0.330693
H -7.531113 2.518471 0.316740
H 9.657037 -1.245114 -0.683988
H 9.657989 1.237535 -0.687682
H -9.653771 -1.237694 0.690281
H -9.653338 1.244950 0.683398


%chk=000265570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265570

0 1
O 2.943603 0.001555 0.959276
O -2.939916 -0.002339 -0.959791
O 4.591372 -2.370043 0.391862
O 4.592466 2.370106 0.382665
O -4.589191 -2.370373 -0.382174
O -4.587253 2.369771 -0.393316
N 4.265655 0.000232 0.452413
N -4.261968 -0.000586 -0.452936
C 0.574856 0.001163 0.520195
C -0.571169 -0.001910 -0.520706
C 1.940948 -0.001240 -0.165110
C -1.937261 0.000702 0.164598
C 6.400316 -0.710750 -0.067279
C 6.400644 0.708210 -0.070024
C -6.397054 -0.707970 0.069913
C -6.396469 0.710989 0.066598
C 5.026661 -1.202825 0.279946
C 5.027193 1.202263 0.275196
C -5.023729 -1.202408 -0.275255
C -5.022750 1.202675 -0.280919
C 7.560722 -1.441975 -0.360005
C 7.561399 1.437758 -0.365535
C -7.557914 -1.437188 0.365826
C -7.556718 1.442542 0.359126
C 8.741111 -0.711701 -0.657526
C 8.741445 0.705792 -0.660243
C -8.737802 -0.704889 0.660337
C -8.737213 0.712602 0.657043
H 0.502832 0.894826 1.168750
H 0.502526 -0.888402 1.174333
H -0.499226 -0.895654 -1.169158
H -0.498756 0.887574 -1.174946
H 2.097486 -0.911161 -0.774162
H 2.098121 0.905113 -0.779294
H -2.093771 0.910779 0.773420
H -2.094468 -0.905495 0.779006
H 7.547886 -2.536300 -0.354496
H 7.549074 2.532103 -0.364236
H -7.545788 -2.531536 0.364962
H -7.543683 2.536863 0.353180
H 9.667163 -1.249151 -0.887692
H 9.667752 1.241918 -0.892458
H -9.664187 -1.240754 0.892847
H -9.663148 1.250312 0.887073


