%chk=000038331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038331

0 1
 O   -1.967000      0.1640000      -2.600900    
 N   0.1882000     -6.3000000E-03 -0.6667000    
 N    2.205700      -1.237400     -0.3682000    
 C   -1.952700      0.9934000      -1.431400    
 C  -0.4937000       1.242200      -1.000000    
 C   -2.754700      0.3369000     -0.3588000    
 C    1.505600     -6.1299998E-02 -0.2727000    
 C    2.111500       1.104800      0.2235000    
 C   -2.817100      -1.054900     -0.2875000    
 C   -3.442000       1.114500      0.5732000    
 C    3.442500       1.064800      0.6239000    
 C    3.497600      -1.237800      3.0700000E-02
 C    4.155800     -0.1250000      0.5288000    
 C   -3.566800      -1.669000      0.7156000    
 C   -4.191700      0.5002000       1.576400    
 C    4.100700       2.293700       1.152300    
 C   -4.254100     -0.8915000       1.647500    
 C    4.232100      -2.531500     -8.5699998E-02
 H   -2.419000       1.943700      -1.717600    
 H  -0.5074000       1.914700     -0.1345000    
 H   4.2500000E-02   1.732600      -1.821500    
 H  -0.1910000     -0.8708000      -1.036100    
 H    1.575900       2.044500      0.3108000    
 H   -2.294700      -1.689800     -0.9975000    
 H   -3.399800       2.199600      0.5297000    
 H    5.196100     -0.1816000      0.8331000    
 H   -1.441200      0.6146000      -3.283600    
 H   -3.615700      -2.752500      0.7714000    
 H   -4.726500       1.105500       2.302500    
 H    4.388400       2.951300      0.3259000    
 H    3.426200       2.838800       1.821500    
 H    4.999700       2.051800       1.729400    
 H   -4.837800      -1.369500       2.428700    
 H    4.582900      -2.859900      0.8978000    
 H    3.585400      -3.315900     -0.4926000    
 H    5.091800      -2.422400     -0.7546000    


%chk=000038331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038331

0 1
O -1.991765 0.075326 -2.652261
N 0.253659 0.140941 -0.892984
N 2.148250 -1.106534 -0.379409
C -2.008048 0.955968 -1.471706
C -0.557886 1.335441 -1.064449
C -2.768475 0.229982 -0.364359
C 1.545574 0.125890 -0.396416
C 2.205278 1.308534 0.062025
C -3.106154 -1.139469 -0.472896
C -3.138285 0.943811 0.802874
C 3.518889 1.206663 0.564352
C 3.421423 -1.199668 0.107487
C 4.134871 -0.074481 0.587119
C -3.792624 -1.788462 0.578951
C -3.823122 0.295804 1.853656
C 4.255944 2.429413 1.078720
C -4.150354 -1.076355 1.745928
C 4.029418 -2.587424 0.103426
H -2.535212 1.905028 -1.711000
H -0.601528 1.922109 -0.123518
H -0.129456 2.011360 -1.843483
H -0.103909 -0.747468 -1.251524
H 1.706420 2.282001 0.024751
H -2.842472 -1.678713 -1.386849
H -2.897181 2.011132 0.894107
H 5.154368 -0.194160 0.967800
H -1.522580 0.533391 -3.394522
H -4.048195 -2.850026 0.485652
H -4.103714 0.858771 2.750975
H 5.259846 2.511755 0.623038
H 3.703190 3.359772 0.861909
H 4.400915 2.369664 2.174241
H -4.681708 -1.581286 2.560477
H 3.412441 -3.276944 0.707525
H 4.051963 -2.993935 -0.923839
H 5.055917 -2.583331 0.507003


