%chk=000050385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050385

0 1
 O   3.0000001E-04  -1.072800      0.2909000    
 O    5.925000      -2.318700     -0.1306000    
 O   -5.925000      -2.318900     -0.1305000    
 N   9.9999997E-05   2.800400       1.098800    
 N  -3.9999999E-04   2.673400      -1.360300    
 C    1.291300      0.9724000     -4.1900001E-02
 C   -1.291100      0.9722000     -4.1499998E-02
 C    1.210300       1.952700       1.163400    
 C    1.203500       1.818400      -1.342500    
 C   -1.210000       1.952500       1.163900    
 C   -1.204000       1.818100      -1.342000    
 C   1.9999999E-04  0.1348000      6.1600000E-02
 C  -1.9999999E-04   3.548000     -0.1732000    
 C    2.540200      8.5699998E-02 -6.6100001E-02
 C   -2.539700      8.4899999E-02 -6.5200001E-02
 C    2.708700     -0.8574000      -1.080800    
 C   -2.708100     -0.8583000      -1.080000    
 C    3.511300      0.2193000      0.9276000    
 C   -3.511300      0.2192000      0.9277000    
 C    3.845700      -1.665200      -1.102000    
 C   -3.845600      -1.665400      -1.101900    
 C    4.648200     -0.5884000      0.9062000    
 C   -4.648700     -0.5880000      0.9059000    
 C    4.815500      -1.530700     -0.1085000    
 C   -4.815900      -1.530200     -0.1089000    
 C    6.876900      -2.129200      0.9153000    
 C   -6.877300      -2.128800      0.9147000    
 H    1.204300       1.408700       2.117800    
 H    2.085100       2.616000       1.188800    
 H    2.096100       2.450900      -1.444800    
 H    1.189200       1.183900      -2.237800    
 H   -2.084800       2.615600       1.189600    
 H   -1.203600       1.408300       2.118200    
 H   -1.189900       1.183600      -2.237300    
 H   -2.096800       2.450400      -1.444000    
 H  -0.8696000       4.217900     -0.2080000    
 H   0.8691000       4.218000     -0.2084000    
 H    1.963300     -0.9845000      -1.861100    
 H   -1.962500     -0.9858000      -1.859900    
 H    3.428500      0.9339000       1.738900    
 H   -3.428700      0.9340000       1.738700    
 H    3.969800      -2.398500      -1.894200    
 H   -3.969600      -2.398800      -1.893900    
 H    5.361900     -0.4325000       1.708000    
 H   -5.362600     -0.4318000       1.707400    
 H    7.313100      -1.125000      0.8853000    
 H    7.693500      -2.837700      0.7414000    
 H    6.450300      -2.367400       1.895600    
 H   -7.313400      -1.124500      0.8839000    
 H   -6.451300      -2.366300       1.895300    
 H   -7.693800      -2.837200      0.7409000    


%chk=000050385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050385

0 1
O -0.000047 -1.198261 0.238497
O 6.112758 -2.280819 -0.228765
O -6.112824 -2.280815 -0.228792
N -0.000036 2.790347 1.123848
N -0.000026 2.618076 -1.338745
C 1.292213 0.900277 0.028658
C -1.292285 0.900284 0.028654
C 1.218741 1.952246 1.214070
C 1.215204 1.772274 -1.306283
C -1.218817 1.952254 1.214062
C -1.215260 1.772279 -1.306292
C -0.000040 0.055686 0.104928
C -0.000030 3.539337 -0.166356
C 2.569114 0.066836 0.032953
C -2.569188 0.066851 0.032939
C 2.745725 -0.962129 -0.936508
C -2.745745 -0.962194 -0.936445
C 3.628077 0.292633 0.943036
C -3.628202 0.292723 0.942947
C 3.925763 -1.718023 -1.000040
C -3.925782 -1.718090 -0.999985
C 4.825360 -0.460053 0.898252
C -4.825483 -0.459963 0.898154
C 4.976023 -1.468945 -0.080587
C -4.976094 -1.468934 -0.080614
C 7.215112 -2.072365 0.712385
C -7.215340 -2.072102 0.712112
H 1.234354 1.430576 2.187871
H 2.101054 2.617995 1.160625
H 2.112438 2.417806 -1.350225
H 1.228631 1.111325 -2.190415
H -2.101131 2.618002 1.160616
H -1.234436 1.430586 2.187865
H -1.228680 1.111328 -2.190422
H -2.112490 2.417815 -1.350241
H -0.901546 4.174107 -0.210393
H 0.901487 4.174105 -0.210385
H 1.936238 -1.194215 -1.636274
H -1.936216 -1.194342 -1.636140
H 3.541069 1.060183 1.718564
H -3.541231 1.060334 1.718417
H 4.055296 -2.512832 -1.740737
H -4.055269 -2.512963 -1.740620
H 5.616700 -0.252059 1.624654
H -5.616857 -0.251923 1.624506
H 7.628144 -1.047764 0.630137
H 7.982224 -2.805282 0.422915
H 6.894884 -2.259461 1.756023
H -7.628191 -1.047442 0.629692
H -6.895355 -2.259162 1.755831
H -7.982506 -2.804924 0.422551


