%chk=000098001.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098001

0 1
 O    5.387800      -1.333700      0.3058000    
 O    5.668400      0.7575000     -0.3153000    
 N    4.930600     -0.2072000     -2.3000001E-03
 C   0.7779000      0.3549000      1.2400000E-02
 C   -3.045400     -0.2439000     -2.4200000E-02
 C  -0.6823000      0.5527000      1.7899999E-02
 C    1.295900     -0.8848000      0.3507000    
 C    1.604300       1.412500     -0.3308000    
 C   -1.604000     -0.4371000     -4.8900001E-02
 C    3.523400     -1.6799999E-02  2.7999999E-03
 C    2.678100      -1.071900      0.3459000    
 C    2.986500       1.225300     -0.3358000    
 C   -3.581800      0.9403000      0.4819000    
 C   -3.891500      -1.242600     -0.5062000    
 C   -4.964100       1.125400      0.5056000    
 C   -5.273700      -1.057300     -0.4827000    
 C   -5.810200      0.1267000      2.3200000E-02
 H  -0.9888000       1.594200      6.4199999E-02
 H   0.6777000      -1.726500      0.6463000    
 H    1.201200       2.385700     -0.5982000    
 H   -1.293100      -1.473600     -0.1479000    
 H    3.061200      -2.051700      0.6198000    
 H    3.614100       2.069900     -0.6089000    
 H   -2.965600       1.736500      0.8887000    
 H   -3.492400      -2.171900     -0.9056000    
 H   -5.382800       2.045000      0.9043000    
 H   -5.932500      -1.834800     -0.8582000    
 H   -6.886500      0.2704000      4.2800002E-02


%chk=000098001-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000098001

0 1
O 5.530696 -1.399154 -0.081347
O 5.801607 0.865296 0.041350
N 5.061134 -0.194720 -0.015356
C 0.783393 0.307774 0.015029
C -3.098834 -0.189449 -0.006302
C -0.664235 0.543385 0.027532
C 1.371650 -0.993905 -0.055770
C 1.660019 1.434300 0.075459
C -1.646876 -0.414264 -0.017461
C 3.596212 -0.020125 -0.004415
C 2.763331 -1.163414 -0.065774
C 3.055820 1.283569 0.066617
C -3.693916 1.106145 0.060439
C -3.963874 -1.321617 -0.064685
C -5.093403 1.256424 0.067949
C -5.365541 -1.171326 -0.057223
C -5.938034 0.119917 0.009173
H -0.959394 1.600436 0.078201
H 0.733919 -1.881931 -0.104619
H 1.229337 2.440824 0.130236
H -1.348474 -1.471410 -0.067433
H 3.222704 -2.153923 -0.120188
H 3.731111 2.141797 0.112852
H -3.061743 1.999574 0.107212
H -3.525277 -2.326059 -0.116483
H -5.532305 2.258986 0.119867
H -6.010040 -2.055874 -0.102857
H -7.026589 0.241944 0.015295


