%chk=000037812.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037812

0 1
 O    2.278200       2.948100     -0.3263000    
 N  -0.3990000     -0.4707000     -0.1735000    
 N   0.3524000      -4.127300      6.6200003E-02
 C  -0.4266000       1.727200      0.1187000    
 C   0.4213000      0.6298000     -1.7500000E-02
 C   -1.778600       1.253800      4.6599999E-02
 C   -1.725900     -0.1233000     -0.1339000    
 C  -4.2100001E-02  -1.810000     -0.6124000    
 C  -3.8600001E-02   3.160800      0.2937000    
 C    1.896400      0.5350000     -3.2200001E-02
 C    1.403400       3.340400      0.7336000    
 C   1.7300000E-02  -2.794500      0.5519000    
 C   -3.044100       1.875200      0.1142000    
 C   -2.870400     -0.9206000     -0.2493000    
 C    2.729700       1.659000     -0.1937000    
 C   -4.200000       1.094200      2.0000001E-03
 C   -4.112000     -0.2839000     -0.1768000    
 C    2.526000     -0.7193000      9.2799999E-02
 C    4.122200       1.519900     -0.2886000    
 C   -5.540100       1.747500      7.3200002E-02
 C    3.916600     -0.8516000      2.5800001E-02
 C    4.714600      0.2673000     -0.1736000    
 C  -0.6319000      -4.580100     -0.9186000    
 C   0.4314000      -5.077000       1.177800    
 H  -0.8199000      -2.093100      -1.331200    
 H   0.8446000      -1.783800      -1.251100    
 H  -0.2009000       3.676500     -0.6610000    
 H  -0.6941000       3.624900       1.040100    
 H   0.6981000      -2.483200       1.350200    
 H  -0.9649000      -2.821200       1.045900    
 H    1.589600       4.405400      0.9134000    
 H    1.627200       2.819900       1.675200    
 H   -3.116200       2.951100      0.2500000    
 H   -2.825200      -1.995900     -0.3822000    
 H   -5.014000     -0.8853000     -0.2640000    
 H    2.053500      -1.643000      0.3349000    
 H    4.751100       2.394300     -0.4381000    
 H   -6.287400       1.071500      0.5027000    
 H   -5.512200       2.638500      0.7096000    
 H   -5.867800       2.042100     -0.9286000    
 H    4.375200      -1.829700      0.1429000    
 H    5.793900      0.1661000     -0.2307000    
 H  -0.5177000      -4.067100      -1.878400    
 H   -1.663800      -4.471600     -0.5653000    
 H  -0.4748000      -5.640600      -1.152200    
 H    1.188600      -4.758500       1.903000    
 H   0.7401000      -6.065400      0.8195000    
 H  -0.5260000      -5.182200       1.700900    


%chk=000037812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037812

0 1
O 2.227111 2.895989 -0.561723
N -0.465324 -0.522263 -0.119239
N 0.400343 -4.231766 0.023569
C -0.438896 1.758290 0.210191
C 0.386411 0.621259 0.062256
C -1.812401 1.319891 0.139177
C -1.799831 -0.095533 -0.074061
C -0.115044 -1.861418 -0.628848
C -0.064212 3.210315 0.360543
C 1.859344 0.507564 0.073880
C 1.427646 3.472078 0.552232
C -0.243967 -2.968863 0.448478
C -3.053786 2.007601 0.218786
C -2.998835 -0.825940 -0.240160
C 2.713092 1.594339 -0.311634
C -4.260992 1.295218 0.068674
C -4.213268 -0.117747 -0.165524
C 2.523178 -0.705219 0.440356
C 4.106867 1.427025 -0.457309
C -5.606476 1.998919 0.146940
C 3.916875 -0.869561 0.321426
C 4.716436 0.189840 -0.165609
C -0.274432 -4.872134 -1.125816
C 0.563911 -5.172499 1.152754
H -0.783494 -2.076483 -1.483903
H 0.915651 -1.857064 -1.014485
H -0.405201 3.762141 -0.538786
H -0.606308 3.659751 1.220429
H 0.255195 -2.623098 1.372641
H -1.323866 -3.114295 0.710697
H 1.640975 4.554276 0.525236
H 1.791475 3.051983 1.510089
H -3.077415 3.091066 0.387222
H -2.999719 -1.907288 -0.412844
H -5.157791 -0.663044 -0.286066
H 1.941631 -1.532616 0.851587
H 4.690996 2.294191 -0.781186
H -6.227856 1.594291 0.968698
H -5.486041 3.082249 0.321654
H -6.184011 1.872552 -0.788729
H 4.373329 -1.822236 0.609883
H 5.798626 0.067640 -0.281247
H -0.253144 -4.209257 -2.007192
H -1.342080 -5.138169 -0.913340
H 0.262051 -5.799215 -1.394009
H 1.139862 -4.688287 1.961407
H 1.128443 -6.060067 0.815357
H -0.407858 -5.524804 1.583146


