%chk=000049388.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049388

0 1
 O    5.610800     -4.9300000E-02  3.0000001E-04
 O    4.029300      -1.657100     -8.9999998E-04
 N    3.457500      0.6260000      1.6000000E-03
 C  -0.9906000      -1.690800     -1.9999999E-04
 C  -1.7600000E-02 -0.5302000     -6.9999998E-04
 C  -0.7143000      0.6992000     -8.9999998E-04
 C   -2.325100     -0.9749000     -3.0000001E-04
 C   -2.135300      0.4252000     -6.9999998E-04
 C    1.365400     -0.5775000     -5.0000002E-04
 C  -2.3300000E-02   1.899300     -6.0000003E-04
 C   -3.591500      -1.532900      6.0000003E-04
 C   -3.222900       1.282700     -1.9999999E-04
 C    2.061600      0.6324000     -9.9999997E-05
 C    1.374400       1.858500      9.9999997E-05
 C   -4.687600     -0.6684000      1.1000000E-03
 C   -4.505200      0.7253000      6.0000003E-04
 C    4.314400     -0.4675000      6.9999998E-04
 H  -0.8743000      -2.293500      0.9052000    
 H  -0.8744000      -2.294100     -0.9051000    
 H    1.826400      -1.554000     -9.9999997E-05
 H  -0.5399000       2.853300     -5.0000002E-04
 H   -3.733700      -2.607800      1.0000000E-03
 H   -3.098100       2.360300     -3.0000001E-04
 H    1.926100       2.796300      6.9999998E-04
 H   -5.695000      -1.076200      1.7000000E-03
 H   -5.374500       1.377800      1.1000000E-03
 H    3.906600       1.538700      2.4000001E-03
 H    6.237000     -0.8044000     -7.9999998E-04


%chk=000049388-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049388

0 1
O 5.719991 0.080610 -0.000130
O 4.147403 -1.664498 -0.000323
N 3.523811 0.628236 0.000191
C -1.033347 -1.718116 0.000231
C -0.030192 -0.570342 0.000221
C -0.722591 0.678481 0.000240
C -2.377642 -0.998037 0.000263
C -2.172901 0.416931 0.000266
C 1.371089 -0.635853 0.000199
C 0.009823 1.886169 0.000230
C -3.678174 -1.530725 0.000287
C -3.275565 1.300426 0.000291
C 2.099961 0.585213 0.000185
C 1.417696 1.834529 0.000197
C -4.784668 -0.643446 0.000311
C -4.582451 0.759518 0.000313
C 4.401283 -0.434060 -0.000061
H -0.911307 -2.369986 0.887431
H -0.911342 -2.369965 -0.886989
H 1.907177 -1.587681 0.000171
H -0.498379 2.856453 0.000243
H -3.841389 -2.614722 0.000287
H -3.128082 2.386450 0.000297
H 1.997017 2.766601 0.000174
H -5.804604 -1.043967 0.000327
H -5.449060 1.430345 0.000332
H 3.962202 1.551686 0.000348
H 6.350441 -0.683851 -0.000333


