%chk=000118258.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118258

0 1
 O    1.262600      -1.476900      -1.807100    
 O   -1.993000       1.441400      -1.594300    
 N   -3.533900       2.837300     -0.6142000    
 C   3.3399999E-02  -2.216000      0.1338000    
 C   -1.405300      -2.087800     -0.3823000    
 C    1.008200      -2.613900     -0.9830000    
 C   -2.399400      -1.653300      0.6996000    
 C    2.925700       1.451900      0.7244000    
 C    2.668100       2.927200      0.4096000    
 C    4.402400       1.089300      0.5286000    
 C    2.338500      -3.187100     -0.4673000    
 C    1.217800       3.354200      0.6586000    
 C   -3.868300      -1.594800      0.2675000    
 C    4.707300     -0.3748000      0.8644000    
 C   0.2099000       2.626100     -0.2381000    
 C   -4.864900      -1.213600       1.364300    
 C    3.101400      -2.246600      0.4230000    
 C    3.977000      -1.336300     -2.7700000E-02
 C   -1.220100       3.117200     -1.7600000E-02
 C   -6.311200      -1.213700      0.8942000    
 C   -2.256000       2.370300     -0.8363000    
 H   4.9199998E-02  -2.973200      0.9269000    
 H   0.3364000      -1.258900      0.5757000    
 H   -1.726800      -3.052500     -0.7940000    
 H   -1.438700      -1.365200      -1.206300    
 H   0.5391000      -3.375500      -1.617800    
 H   -2.103900     -0.6655000       1.075300    
 H   -2.316800      -2.344000       1.548400    
 H    2.311000      0.8256000      7.0600003E-02
 H    2.628500       1.237800       1.758000    
 H    2.934500       3.133600     -0.6341000    
 H    3.322500       3.549300       1.032500    
 H    4.697500       1.299000     -0.5075000    
 H    5.021500       1.729200       1.169500    
 H    2.156500      -4.118700      8.1699997E-02
 H    2.969500      -3.451200      -1.326100    
 H    1.139500       4.434300      0.4837000    
 H   0.9629000       3.184200       1.711700    
 H   -3.961500     -0.8809000     -0.5606000    
 H   -4.150300      -2.575200     -0.1370000    
 H    4.473000     -0.5621000       1.919400    
 H    5.783700     -0.5481000      0.7470000    
 H   0.4851000       2.761200      -1.291300    
 H   0.2397000       1.548600     -4.0300000E-02
 H   -4.614400     -0.2180000       1.749200    
 H   -4.765200      -1.913100       2.202700    
 H    2.887500      -2.302800       1.487400    
 H    4.183000      -1.273500      -1.093300    
 H   -1.488000       3.008900       1.040600    
 H   -1.288200       4.182000     -0.2708000    
 H    1.852700      -1.761200      -2.525700    
 H   -6.455800     -0.4988000      7.8100003E-02
 H   -6.606000      -2.205900      0.5382000    
 H   -6.978200     -0.9337000       1.715500    
 H   -4.329800       2.424600      -1.089100    
 H   -3.729100       3.602900      2.3000000E-02


%chk=000118258-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118258

0 1
O 1.225467 -1.427455 -1.681961
O -2.581354 1.665051 -1.314140
N -3.529978 2.315180 0.697480
C 0.007913 -2.419804 0.143002
C -1.378907 -2.111023 -0.462677
C 1.080465 -2.687799 -0.924413
C -2.457245 -1.839266 0.609429
C 2.948520 1.521487 0.587992
C 2.632901 2.834651 -0.166820
C 4.440780 1.127647 0.497759
C 2.450915 -3.166290 -0.353323
C 1.245494 3.438092 0.162227
C -3.835701 -1.498536 0.000014
C 4.746191 -0.279387 1.094848
C 0.050561 2.512471 -0.162119
C -4.919682 -1.210837 1.064350
C 3.104118 -2.171375 0.580908
C 4.160781 -1.386767 0.245023
C -1.301238 3.214616 0.111849
C -6.269144 -0.777755 0.448850
C -2.504853 2.333238 -0.239804
H -0.057748 -3.305805 0.808038
H 0.336387 -1.563764 0.764476
H -1.700581 -2.965076 -1.096442
H -1.291581 -1.234182 -1.130914
H 0.712001 -3.485376 -1.611601
H -2.128049 -0.991960 1.248295
H -2.550850 -2.720347 1.280586
H 2.329865 0.697556 0.183799
H 2.670990 1.637407 1.657920
H 2.704296 2.650001 -1.258744
H 3.411382 3.588770 0.074692
H 4.762747 1.146187 -0.564702
H 5.055036 1.887266 1.023504
H 2.276877 -4.133976 0.160598
H 3.132052 -3.374268 -1.205132
H 1.123906 4.389171 -0.398197
H 1.217455 3.706024 1.240373
H -3.721132 -0.618386 -0.664780
H -4.173183 -2.337509 -0.644470
H 4.338655 -0.336073 2.123813
H 5.845749 -0.403470 1.172089
H 0.079048 2.195075 -1.221048
H 0.110258 1.585170 0.439203
H -4.549985 -0.421177 1.752853
H -5.072286 -2.113087 1.691329
H 2.646707 -2.046386 1.574232
H 4.611640 -1.510183 -0.754475
H -1.351828 3.547239 1.167896
H -1.363187 4.127001 -0.515565
H 1.982055 -1.517723 -2.315316
H -6.150080 0.127011 -0.179828
H -6.676706 -1.571658 -0.204715
H -7.025560 -0.558367 1.225523
H -4.357208 1.747728 0.508167
H -3.472347 2.834327 1.571371


