%chk=000112576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112576

0 1
 O    4.629800      0.3243000     -4.4999998E-03
 O    3.724500      -1.679800      4.1999999E-02
 N   -1.235100     -0.9741000     -0.1329000    
 N    3.627900     -0.4300000      3.0000000E-03
 C   -2.610000     -0.4249000     -0.1077000    
 C   -2.617600      0.9758000      0.5367000    
 C   -1.611500       1.928700     -0.1110000    
 C  -0.2366000       1.282000     -8.1000000E-02
 C  -0.1133000     -0.1320000     -8.5000001E-02
 C   -3.533200      -1.305500      0.7641000    
 C   -3.166200     -0.3738000      -1.542400    
 C   -1.032200      -2.391400     -0.4401000    
 C   -1.707200       3.287700      0.5979000    
 C   0.9209000       2.088200     -0.1043000    
 C    1.198700     -0.6597000     -3.9999999E-02
 C  -0.7674000      -3.198600      0.8140000    
 C    2.333800      0.1536000     -3.3100002E-02
 C    2.194600       1.529500     -7.5700000E-02
 H   -2.383700      0.8849000       1.608200    
 H   -3.626200       1.406600      0.4780000    
 H   -1.878100       2.088200      -1.163000    
 H   -3.670200      -2.308500      0.3477000    
 H   -3.135300      -1.415200       1.779200    
 H   -4.531800     -0.8601000      0.8466000    
 H   -2.487200      0.1480000      -2.225100    
 H   -3.318600      -1.377200      -1.954700    
 H   -4.134500      0.1383000      -1.571300    
 H   -1.917800      -2.812700     -0.9289000    
 H  -0.2379000      -2.538200      -1.182300    
 H   -1.335300       3.231400       1.627100    
 H   -1.134800       4.058000      7.1199998E-02
 H   -2.745500       3.636400      0.6314000    
 H   0.8482000       3.171200     -0.1459000    
 H    1.349400      -1.734400     -2.0500001E-02
 H   6.3299999E-02  -2.810000       1.409000    
 H   -1.643000      -3.223300       1.468900    
 H  -0.5328000      -4.234500      0.5477000    
 H    3.048900       2.201000     -8.6800002E-02


%chk=000112576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112576

0 1
O 4.702409 0.310749 -0.063895
O 3.741168 -1.754985 -0.085814
N -1.237120 -0.966528 -0.110454
N 3.666542 -0.462704 -0.073460
C -2.640384 -0.426946 -0.121329
C -2.639317 0.979781 0.530636
C -1.626972 1.957830 -0.099426
C -0.238876 1.319940 -0.066648
C -0.117487 -0.121007 -0.082573
C -3.577585 -1.326012 0.729497
C -3.172147 -0.361383 -1.583256
C -1.044051 -2.412427 -0.369695
C -1.711064 3.338884 0.591911
C 0.928490 2.114800 -0.044620
C 1.198085 -0.676716 -0.079247
C -0.733944 -3.255910 0.889974
C 2.324314 0.165247 -0.071402
C 2.227308 1.570230 -0.052210
H -2.411475 0.873076 1.609983
H -3.660753 1.396436 0.448094
H -1.909571 2.106566 -1.164320
H -3.686409 -2.342727 0.313748
H -3.204980 -1.408907 1.765609
H -4.585441 -0.873832 0.760322
H -2.520072 0.260460 -2.220227
H -3.217231 -1.369373 -2.034127
H -4.192980 0.063096 -1.605535
H -1.957490 -2.803257 -0.850436
H -0.235499 -2.540724 -1.115370
H -1.360510 3.280043 1.638689
H -1.112068 4.107205 0.072444
H -2.758508 3.692484 0.599422
H 0.820483 3.203458 -0.028256
H 1.379859 -1.751503 -0.072801
H 0.156007 -2.877886 1.421106
H -1.581188 -3.238293 1.596214
H -0.541355 -4.307592 0.606650
H 3.126811 2.188328 -0.042696


