%chk=000124206.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124206

0 1
 O  -0.1222000      -4.156100      0.5447000    
 N   0.8678000     -0.6883000     -0.4240000    
 N    1.551600      0.4020000       1.610800    
 N    2.951900       2.349700       1.194500    
 N    3.548900       3.055400      -1.006800    
 C   7.4100003E-02  -1.770300      0.1767000    
 C   -1.424700      -1.675700     -0.2081000    
 C   -2.058700     -0.3285000      0.1650000    
 C   0.6574000      -3.171400     -0.1373000    
 C   -3.554800     -0.3147000     -0.1583000    
 C    1.519900      0.2742000      0.2729000    
 C   -4.237800       1.014800      0.1768000    
 C    1.040800     -0.5276000      -1.761000    
 C    2.106500      -3.331500      0.3172000    
 C    2.145600       1.098300     -0.6545000    
 C    1.836700      0.5837000      -1.939600    
 C   -5.717100       1.116500     -0.2027000    
 C    2.881500       2.167000     -0.1445000    
 C   -6.359100       2.434600      0.1999000    
 C    2.291600       1.467800       1.978400    
 H   0.1201000      -1.631300       1.265400    
 H   -1.546000      -1.846100      -1.285300    
 H   -1.981000      -2.472900      0.2998000    
 H   -1.914900     -0.1368000       1.235000    
 H   -1.571400      0.4870000     -0.3809000    
 H   0.5883000      -3.389100      -1.208700    
 H   -4.056300      -1.120900      0.3910000    
 H   -3.694000     -0.5248000      -1.226000    
 H   -3.694800       1.826000     -0.3248000    
 H   -4.135900       1.196400       1.254400    
 H   0.5971000      -1.197500      -2.485200    
 H    2.208100      -3.117500       1.386900    
 H    2.436600      -4.366000      0.1723000    
 H    2.784200      -2.676300     -0.2371000    
 H    2.156400      0.9752000      -2.895500    
 H   -6.267700      0.2957000      0.2718000    
 H   -5.821800      0.9843000      -1.286000    
 H  -6.2199999E-02  -3.976700       1.498600    
 H   -6.307100       2.579200       1.283600    
 H   -5.855400       3.277500     -0.2838000    
 H   -7.412600       2.450900     -9.6400000E-02
 H    2.367800       1.641800       3.046200    
 H    3.505700       2.931400      -2.009000    
 H    4.075700       3.821800     -0.6103000    


%chk=000124206-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124206

0 1
O -0.116298 -4.098737 0.815848
N 0.813353 -0.647676 -0.427556
N 1.811625 0.305260 1.605274
N 3.352098 2.163642 1.177158
N 3.855684 2.971486 -0.962265
C 0.008183 -1.702442 0.231125
C -1.473565 -1.645110 -0.203033
C -2.187479 -0.340649 0.211157
C 0.631177 -3.116340 0.000324
C -3.666325 -0.300123 -0.234203
C 1.640312 0.247339 0.249613
C -4.388354 1.002996 0.175567
C 0.923166 -0.390009 -1.803415
C 2.137326 -3.179642 0.297965
C 2.276396 1.088747 -0.720660
C 1.810526 0.667472 -2.020929
C -5.868832 1.048134 -0.266502
C 3.160978 2.075870 -0.179484
C -6.580925 2.355475 0.143118
C 2.676766 1.285449 1.983420
H 0.082120 -1.475811 1.314160
H -1.546518 -1.777536 -1.303006
H -1.979378 -2.518911 0.249062
H -2.132651 -0.227883 1.313732
H -1.652033 0.530792 -0.216975
H 0.427002 -3.446731 -1.035255
H -4.206046 -1.169525 0.196397
H -3.720956 -0.416655 -1.337386
H -3.850526 1.872176 -0.257761
H -4.332956 1.123318 1.277841
H 0.356446 -0.973045 -2.526613
H 2.355688 -2.802445 1.315616
H 2.487721 -4.223433 0.219059
H 2.714341 -2.564139 -0.414021
H 2.073040 1.072768 -2.997021
H -6.405715 0.180896 0.169713
H -5.924059 0.925039 -1.367731
H 0.152528 -3.981471 1.763711
H -6.570155 2.485340 1.241845
H -6.079566 3.235584 -0.302180
H -7.635973 2.363987 -0.187543
H 2.858912 1.389411 3.057341
H 3.767338 2.977349 -1.973823
H 4.464383 3.640982 -0.495583


