%chk=000094674.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094674

0 1
 O    4.349500      -1.893500     -0.2156000    
 O    6.038000     -0.1884000      6.0999999E-03
 O   -2.169000      -3.621300      0.4702000    
 O   -6.148400      0.6311000     -0.2210000    
 O   -5.079700      -1.253800     -0.5735000    
 N   -2.632900      4.0000002E-03 -0.1136000    
 N   -2.208100       2.123300      0.3966000    
 N   -5.066200     -2.0400001E-02 -0.2922000    
 C   -2.415400      -1.395700     -0.4160000    
 C   -1.702800      0.9491000      0.1668000    
 C   -3.848000      0.6266000     -5.9099998E-02
 C    2.112600       1.010900     -6.1099999E-02
 C  -0.3251000      0.5528000      0.1749000    
 C   -2.425700      -2.270200      0.8306000    
 C    3.815100     -0.6447000     -0.1315000    
 C    4.779300      0.3290000     -4.8000002E-03
 C   0.7079000       1.388600     -8.9100003E-02
 C    2.470800     -0.3355000     -0.1631000    
 C   -3.560200       1.933500      0.2578000    
 C    3.097800       2.005700      6.8499997E-02
 C    4.452400       1.665500      9.7499996E-02
 C    5.758200      -1.596600     -0.1284000    
 H   -3.079100      -1.747600      -1.207800    
 H   -1.438800      -1.492400     -0.9075000    
 H  -0.1110000     -0.4708000      0.4618000    
 H   -1.655600      -1.961200       1.544200    
 H   -3.388700      -2.228900       1.349500    
 H   0.4982000       2.427300     -0.3368000    
 H    1.754400      -1.139400     -0.2875000    
 H   -4.252700       2.752100      0.3941000    
 H    2.820000       3.054500      0.1494000    
 H    5.215100       2.429300      0.1978000    
 H    6.251600      -1.967700      -1.034100    
 H    6.174300      -2.121600      0.7392000    
 H   -2.869600      -3.897700     -0.1449000    


%chk=000094674-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094674

0 1
O 4.818016 -1.788312 -0.262638
O 6.313177 0.072102 0.008266
O -2.636249 -3.815665 0.556524
O -6.177449 1.164527 -0.106475
O -5.502367 -1.025964 -0.261744
N -2.755972 -0.117894 -0.235912
N -2.064890 2.036945 0.124933
N -5.251375 0.256479 -0.166368
C -2.697723 -1.577008 -0.472292
C -1.654264 0.733315 -0.077640
C -3.900318 0.698152 -0.109217
C 2.190423 0.903215 0.021972
C -0.275453 0.303304 -0.114745
C -2.766854 -2.386346 0.845609
C 4.087735 -0.583656 -0.125157
C 4.974163 0.510224 0.033768
C 0.760201 1.199758 0.027746
C 2.707834 -0.428617 -0.135610
C -3.435002 2.014245 0.101879
C 3.099317 1.992968 0.180653
C 4.504935 1.817172 0.189402
C 6.251425 -1.407269 -0.172255
H -3.541695 -1.859806 -1.119444
H -1.758871 -1.811124 -1.000379
H -0.078263 -0.765511 -0.250037
H -1.912309 -2.143167 1.499141
H -3.710594 -2.155854 1.377069
H 0.476539 2.252264 0.163340
H 2.052970 -1.294799 -0.257198
H -4.041623 2.905204 0.240337
H 2.691344 3.002562 0.300105
H 5.190333 2.658826 0.311748
H 6.756830 -1.671951 -1.116112
H 6.700590 -1.892438 0.710810
H -3.496363 -4.159982 0.207322


