%chk=000040305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040305

1 1
 O    5.148000      -1.611100     -2.3000001E-03
 O    5.646400       1.119000     -0.1208000    
 O   -5.489400       1.378100      0.1194000    
 O   -6.112300      -1.321100      0.2378000    
 N  -0.3403000       1.560300     -5.9000002E-03
 C  -0.7123000      0.2646000      5.4200001E-02
 C   0.3174000     -0.7185000      7.0000000E-02
 C    1.691100     -0.3035000      2.2600001E-02
 C   -2.098100     -9.0200000E-02  9.9500000E-02
 C    1.979400       1.075700     -3.8800001E-02
 C   -2.444700      -1.460200      0.1614000    
 C   0.9274000       1.976600     -5.1100001E-02
 C  -9.1100000E-02  -2.065400      0.1328000    
 C   -1.438200      -2.427300      0.1773000    
 C    2.803400      -1.183700      3.2499999E-02
 C   -3.163700      0.8436000      8.6900003E-02
 C    3.304800       1.539500     -8.7200001E-02
 C   -1.211100       2.734400     -3.5999998E-02
 C   -3.793400      -1.853600      0.2071000    
 C    4.120200     -0.7168000     -1.5100000E-02
 C    4.370900      0.6461000     -7.4900001E-02
 C   -4.500500      0.4400000      0.1328000    
 C   -4.815500     -0.9092000      0.1929000    
 C    5.608700      -2.086900      -1.265400    
 C    6.281600       1.395400       1.126500    
 C   -5.988700       1.774100      -1.156200    
 H    1.140200       3.041600     -9.7800002E-02
 H   0.6331000      -2.875700      0.1487000    
 H   -1.687400      -3.486000      0.2249000    
 H    2.658100      -2.260400      7.9599999E-02
 H   -3.131800       1.909800      5.1199999E-02
 H    3.511200       2.607600     -0.1351000    
 H   -1.736600       2.806300      0.9207000    
 H  -0.6567000       3.679500     -9.2900001E-02
 H   -1.785000       2.722800     -0.9671000    
 H   -4.053900      -2.910000      0.2545000    
 H   -6.685800     -0.5359000      0.2616000    
 H    4.807300      -2.615200      -1.791600    
 H    6.431200      -2.785400      -1.089000    
 H    5.978400      -1.258600      -1.877900    
 H    6.351000      0.4869000       1.733100    
 H    5.734400       2.171000       1.671600    
 H    7.292900       1.757900      0.9228000    
 H   -6.390600      0.9141000      -1.701300    
 H   -5.198700       2.253600      -1.742900    
 H   -6.794700       2.496100     -0.9994000    


%chk=000040305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040305

1 1
O 4.970733 -1.723341 -0.133742
O 5.583759 1.151512 -0.450816
O -5.801419 0.800000 -0.824047
O -6.235137 -1.631905 0.168607
N -0.486743 1.681041 0.095343
C -0.864530 0.307724 0.167117
C 0.199319 -0.654059 0.315875
C 1.586944 -0.260844 0.127658
C -2.251581 -0.126617 0.117374
C 1.877374 1.133306 -0.123332
C -2.540130 -1.490065 0.522433
C 0.813010 2.055029 -0.074908
C -0.143892 -2.003788 0.664493
C -1.462189 -2.389366 0.824566
C 2.674725 -1.173394 0.123076
C -3.351014 0.662120 -0.371199
C 3.225173 1.578647 -0.308825
C -1.439690 2.798004 0.392614
C -3.882221 -1.970057 0.555929
C 3.990464 -0.743992 -0.121632
C 4.280792 0.672232 -0.280292
C -4.653321 0.157334 -0.361098
C -4.937919 -1.161883 0.143393
C 5.946707 -1.755847 -1.264658
C 6.504644 0.953701 0.705960
C -5.683640 2.139152 -1.417523
H 1.003361 3.129736 -0.132223
H 0.651214 -2.731516 0.838281
H -1.703649 -3.410380 1.137396
H 2.530433 -2.248473 0.249075
H -3.181207 1.633766 -0.832995
H 3.452282 2.640807 -0.446182
H -2.242653 2.434718 1.047126
H -0.888837 3.590498 0.921356
H -1.866988 3.217054 -0.532876
H -4.093936 -2.993164 0.878764
H -6.854270 -0.944328 -0.197774
H 5.434566 -2.163979 -2.152938
H 6.737887 -2.442656 -0.934202
H 6.350835 -0.754097 -1.479980
H 6.572766 -0.111751 0.987833
H 6.151312 1.552080 1.564322
H 7.479041 1.325765 0.360427
H -5.042424 2.110428 -2.317921
H -5.286099 2.859220 -0.677782
H -6.707249 2.421530 -1.698372


