%chk=000094793.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094793

0 1
 O    7.333700       1.032000     -0.3076000    
 O    3.395400      -1.951300     -8.3999999E-02
 N    4.838800     -0.1607000      0.2339000    
 C   -2.681400      0.3174000      0.1673000    
 C   -1.449900     -0.5866000      7.5199999E-02
 C   -3.974400     -0.4885000      3.0400001E-02
 C  -0.1590000      0.2170000      0.2460000    
 C   -5.204400      0.4189000      8.9000002E-02
 C    1.106100     -0.6367000      0.1309000    
 C   -6.496700     -0.3834000     -8.1000000E-02
 C    2.393600      0.1670000      0.2756000    
 C    5.096100       1.234000      0.6078000    
 C    6.044500     -0.9778000      9.6600004E-02
 C   -7.723700      0.5309000     -5.5799998E-02
 C    3.581100     -0.7500000      0.1260000    
 C    6.153200       1.838900     -0.3074000    
 C    7.057700     -0.2816000     -0.8008000    
 C   -9.043200     -0.2202000     -0.2461000    
 C   -10.26750      0.6806000     -0.1961000    
 H   -2.636200       1.078700     -0.6209000    
 H   -2.679900      0.8461000       1.128200    
 H   -1.439500      -1.096400     -0.8957000    
 H   -1.501300      -1.362700      0.8482000    
 H   -4.029600      -1.235900      0.8311000    
 H   -3.966500      -1.033900     -0.9213000    
 H  -0.1245000       1.009300     -0.5122000    
 H  -0.1681000      0.7147000       1.223700    
 H   -5.224400      0.9512000       1.047700    
 H   -5.137800       1.177200     -0.7008000    
 H    1.095400      -1.146200     -0.8416000    
 H    1.070800      -1.422600      0.8966000    
 H   -6.469200     -0.9299000      -1.031400    
 H   -6.577400      -1.128800      0.7192000    
 H    2.437100      0.9404000     -0.4988000    
 H    2.422000      0.6392000       1.263400    
 H    4.192100       1.844300      0.5846000    
 H    5.461300       1.212000       1.641400    
 H    6.453800      -1.099900       1.106200    
 H    5.805700      -1.970900     -0.2957000    
 H   -7.752300       1.069800      0.8994000    
 H   -7.628200       1.288600     -0.8435000    
 H    6.428800       2.837500      4.5699999E-02
 H    5.782600       1.936600      -1.334700    
 H    7.998000     -0.8415000     -0.8119000    
 H    6.696100     -0.2113000      -1.833500    
 H   -9.027200     -0.7434000      -1.209500    
 H   -9.138600     -0.9882000      0.5308000    
 H   -11.17920      9.2000000E-02 -0.3378000    
 H   -10.33730       1.190700      0.7698000    
 H   -10.22540       1.439900     -0.9833000    


%chk=000094793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094793

0 1
O 7.437515 1.101020 -0.308640
O 3.616047 -1.995676 -0.280952
N 4.937423 -0.183957 0.318080
C -2.688067 0.326324 0.065438
C -1.433039 -0.573237 0.006709
C -4.012756 -0.462178 -0.042200
C -0.110213 0.211497 0.156434
C -5.267142 0.439609 -0.003734
C 1.139791 -0.690265 0.058594
C -6.593124 -0.350169 -0.085269
C 2.447899 0.101444 0.254766
C 5.175505 1.216361 0.721978
C 6.176004 -0.984556 0.186601
C -7.847143 0.552556 -0.056134
C 3.696885 -0.777438 0.075870
C 6.189387 1.874196 -0.241673
C 7.157575 -0.276524 -0.763806
C -9.173633 -0.238085 -0.129351
C -10.420595 0.672279 -0.102469
H -2.640138 1.075742 -0.752489
H -2.682486 0.902586 1.014696
H -1.423215 -1.127488 -0.954861
H -1.494176 -1.341234 0.805798
H -4.066855 -1.200278 0.785409
H -4.013704 -1.051419 -0.983148
H -0.062031 0.997517 -0.627181
H -0.113288 0.744330 1.131292
H -5.257062 1.041721 0.929189
H -5.221557 1.166330 -0.841943
H 1.167270 -1.199193 -0.922636
H 1.085723 -1.497167 0.813861
H -6.601102 -0.958295 -1.014223
H -6.641573 -1.071465 0.757477
H 2.483966 0.941429 -0.470544
H 2.456015 0.563878 1.263152
H 4.234375 1.787830 0.719726
H 5.592538 1.236230 1.750206
H 6.644773 -1.099353 1.184881
H 5.891399 -1.980355 -0.192837
H -7.837904 1.164951 0.870082
H -7.803041 1.270126 -0.902327
H 6.481286 2.875489 0.116428
H 5.740610 1.957396 -1.256105
H 8.136320 -0.782877 -0.776198
H 6.737109 -0.251857 -1.792116
H -9.180854 -0.851089 -1.053891
H -9.217757 -0.953567 0.717230
H -11.355117 0.083918 -0.157659
H -10.452784 1.271988 0.826933
H -10.413954 1.377474 -0.955146


