%chk=000057064.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057064

0 1
 O    1.253100      -2.016900      0.4465000    
 O   0.7869000       2.069000       1.108000    
 N   -2.980500      0.3494000      0.1822000    
 C   -1.743900       1.100800      0.3960000    
 C  -0.5307000      0.1721000      0.3891000    
 C   -2.951300     -0.3280000      -1.121700    
 C   -4.146800       1.236700      0.2938000    
 C   -4.217000      -1.158800      -1.340500    
 C   -5.451300      0.4573000      0.1212000    
 C   -5.471800     -0.3050000      -1.198900    
 C  -0.6821000     -0.9241000       1.444700    
 C   0.7603000      0.9485000      0.6074000    
 C   0.5990000      -1.715500       1.679400    
 C    2.030600      0.3062000      0.1705000    
 C    2.191100      -1.085000      8.0100000E-02
 C    3.086200       1.149100     -0.2052000    
 C    3.378900      -1.613400     -0.4385000    
 C    4.276900      0.6110000     -0.6949000    
 C    4.420100     -0.7684000     -0.8195000    
 C    5.392200       1.515100      -1.099800    
 H   -1.619300       1.883600     -0.3647000    
 H   -1.794700       1.615600       1.365000    
 H  -0.4147000     -0.2689000     -0.6074000    
 H   -2.130100      -1.044700      -1.201400    
 H   -2.839100      0.3967000      -1.938900    
 H   -4.098200       2.041800     -0.4512000    
 H   -4.161400       1.709100       1.283500    
 H   -4.249200      -1.979200     -0.6121000    
 H   -4.193200      -1.616100      -2.336200    
 H   -6.302500       1.146300      0.1633000    
 H   -5.570000     -0.2489000      0.9528000    
 H   -5.526300      0.4068000      -2.031700    
 H   -6.365200     -0.9364000      -1.255200    
 H   -1.455400      -1.630500       1.118900    
 H   -1.016700     -0.5107000       2.404200    
 H    1.271400      -1.199200       2.378500    
 H   0.3478000      -2.669500       2.157200    
 H    2.978900       2.229800     -0.1422000    
 H    3.506200      -2.689200     -0.5315000    
 H    5.338300      -1.198700      -1.210200    
 H    5.418600       2.412700     -0.4726000    
 H    6.363400       1.020300     -0.9909000    
 H    5.269500       1.818800      -2.144100    


%chk=000057064-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057064

0 1
O 1.346118 -2.079063 0.543009
O 0.752992 2.138803 0.978406
N -2.986639 0.335425 0.025604
C -1.708980 1.066435 0.208197
C -0.489493 0.124642 0.339905
C -3.111259 -0.280508 -1.320941
C -4.158986 1.197253 0.330426
C -4.393634 -1.131146 -1.430519
C -5.471903 0.390303 0.282601
C -5.644922 -0.288215 -1.095377
C -0.712529 -0.942293 1.450008
C 0.795541 0.935028 0.581029
C 0.567800 -1.725741 1.766488
C 2.100350 0.286083 0.220736
C 2.286495 -1.124490 0.114632
C 3.184060 1.138538 -0.140474
C 3.491831 -1.642700 -0.415669
C 4.397075 0.640584 -0.653478
C 4.523357 -0.770943 -0.805791
C 5.532803 1.567909 -1.049756
H -1.519520 1.791557 -0.623301
H -1.779720 1.668540 1.131937
H -0.332251 -0.435583 -0.603556
H -2.227303 -0.917334 -1.508253
H -3.122585 0.510085 -2.119241
H -4.230729 2.052431 -0.394320
H -4.015248 1.632362 1.337035
H -4.318818 -1.979933 -0.723090
H -4.467813 -1.552045 -2.451873
H -6.324879 1.062505 0.497900
H -5.443348 -0.382190 1.075556
H -5.781825 0.491538 -1.873311
H -6.553427 -0.919731 -1.107573
H -1.526222 -1.608385 1.117221
H -1.062998 -0.444759 2.375939
H 1.234527 -1.147985 2.436832
H 0.341420 -2.699768 2.231180
H 3.024231 2.217089 -0.028215
H 3.603179 -2.729068 -0.485761
H 5.452348 -1.187915 -1.214159
H 5.277956 2.622940 -0.853022
H 6.457171 1.334715 -0.488344
H 5.773778 1.474630 -2.125622


