%chk=000039847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039847

0 1
 O   -5.165000     -9.6500002E-02  -1.303800    
 O    1.681800       2.392300      0.6209000    
 O    1.782200      -2.395300      0.5281000    
 O    3.112100      3.1199999E-02  0.3964000    
 O   -2.880500     -0.1227000       2.269400    
 N   -3.253300     -9.3300000E-02 -1.9300001E-02
 C   -2.838700     -6.7100003E-02  -1.404700    
 C   -4.694800     -7.7200003E-02  4.9199998E-02
 C   -4.087400      0.4142000      -2.105000    
 C   -2.459800     -9.9900000E-02   1.114300    
 C   -1.000200     -6.5300003E-02  0.9249000    
 C  -0.2893000      -1.256900      0.8130000    
 C  -0.3397000       1.158100      0.8607000    
 C    1.043500       1.190400      0.6831000    
 C    1.093800      -1.224600      0.6355000    
 C    1.760200     -1.0000000E-03  0.5705000    
 C    1.289600       3.281200     -0.4232000    
 C    1.427200      -3.259300     -0.5496000    
 C    3.590900      6.7699999E-02 -0.9460000    
 C    5.103900      0.1146000     -0.9287000    
 C    2.471700       4.146700     -0.8041000    
 C    2.651800      -4.037300     -0.9818000    
 H   -1.969600      0.5716000      -1.578000    
 H   -2.594600      -1.096200      -1.689000    
 H   -5.029200      0.8373000      0.5497000    
 H   -5.064200     -0.9526000      0.5911000    
 H   -4.172100      4.9800001E-02  -3.131900    
 H   -4.152900       1.508100      -2.105400    
 H  -0.8126000      -2.208100      0.8726000    
 H  -0.9022000       2.083500      0.9573000    
 H   0.4677000       3.910500     -6.4999998E-02
 H   0.9505000       2.725100      -1.306200    
 H    1.044000      -2.687200      -1.403900    
 H   0.6479000      -3.949700     -0.2091000    
 H    3.255200     -0.8238000      -1.486800    
 H    3.200600      0.9538000      -1.458400    
 H    5.505900      0.1434000      -1.945300    
 H    5.455600      0.9973000     -0.3843000    
 H    5.510500     -0.7614000     -0.4125000    
 H    3.308500       3.529700      -1.147400    
 H    2.829500       4.713200      6.2100001E-02
 H    2.202300       4.849000      -1.597900    
 H    3.053700      -4.618900     -0.1455000    
 H    3.447000      -3.359100      -1.307700    
 H    2.411900      -4.719500      -1.802300    


%chk=000039847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039847

0 1
O -5.380649 -0.929259 -0.939211
O 2.134382 2.676120 0.201227
O 1.842799 -2.048911 -0.471829
O 3.325299 0.305023 -0.235012
O -2.822122 1.491534 1.212156
N -3.255992 -0.272443 -0.206627
C -3.067376 -1.091400 -1.430928
C -4.715443 -0.092582 0.060691
C -4.458761 -0.969844 -2.093677
C -2.368102 0.595562 0.421664
C -0.893837 0.452109 0.168480
C -0.272576 -0.791147 -0.100822
C -0.112908 1.623575 0.295578
C 1.287918 1.567997 0.117656
C 1.132533 -0.854712 -0.252360
C 1.930243 0.323983 -0.166772
C 1.527325 3.967359 0.591338
C 1.089646 -3.317683 -0.419993
C 3.946722 -0.189451 -1.497615
C 5.454259 -0.035674 -1.319055
C 2.668076 4.977469 0.671158
C 2.106278 -4.441628 -0.602706
H -2.252446 -0.692810 -2.056913
H -2.851602 -2.148134 -1.182721
H -4.981015 0.978689 -0.040325
H -5.009481 -0.459940 1.056728
H -4.742661 -1.837516 -2.707753
H -4.538027 -0.036438 -2.688415
H -0.869368 -1.705307 -0.125329
H -0.629230 2.552202 0.550255
H 1.017463 3.852552 1.569214
H 0.774177 4.266386 -0.166527
H 0.327775 -3.331304 -1.227387
H 0.573014 -3.397286 0.558120
H 3.653977 -1.242293 -1.658489
H 3.571075 0.429811 -2.337038
H 5.982539 -0.376793 -2.228563
H 5.717702 1.018994 -1.130537
H 5.803847 -0.639015 -0.463739
H 3.173561 5.073178 -0.304985
H 3.415020 4.660030 1.418169
H 2.276025 5.968825 0.962937
H 2.867558 -4.408229 0.194778
H 2.617810 -4.353661 -1.576560
H 1.597972 -5.422139 -0.562262


