%chk=000052106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052106

0 1
 O   -2.538600      -1.135400      6.6000000E-03
 O    1.039400      0.5461000      0.3786000    
 O   -4.480600     -0.1095000      0.6846000    
 O  -0.4041000      0.5995000       2.164200    
 N   -1.125300       1.013600     -2.0000001E-03
 C   -3.174100       2.240500     -0.7029000    
 C   -2.519500       1.247700      0.2821000    
 C   -2.428400       3.578300     -0.7198000    
 C   -3.292500       1.690200      -2.128200    
 C   -3.301000     -5.9799999E-02  0.3514000    
 C  -0.1853000      0.7094000      0.9623000    
 C    2.116300      0.2250000       1.266400    
 C    3.380400      8.1000000E-02  0.4710000    
 C   -3.198400      -2.405000      4.7800001E-02
 C    3.732200      -1.162100     -4.3400001E-02
 C    4.188500       1.191600      0.2551000    
 C    4.907100      -1.296200     -0.7830000    
 C    5.363500       1.057500     -0.4847000    
 C    5.722700     -0.1865000      -1.003700    
 C   -2.278000      -3.473800     -0.3416000    
 C   -1.524300      -4.352100     -0.6607000    
 H   -4.195900       2.437300     -0.3510000    
 H   -2.568200       1.670100       1.294700    
 H   -2.343000       3.988700      0.2919000    
 H   -2.967500       4.310700      -1.330500    
 H   -1.420100       3.478400      -1.135100    
 H   -3.796400       2.415100      -2.777100    
 H   -3.880700      0.7677000      -2.154100    
 H   -2.311400       1.480800      -2.566000    
 H  -0.8160000       1.017600     -0.9690000    
 H    2.227800       1.019200       2.015200    
 H    1.892800     -0.7096000       1.795900    
 H   -3.564700      -2.585600       1.064900    
 H   -4.053700      -2.386600     -0.6374000    
 H    3.103000      -2.032600      0.1204000    
 H    3.917200       2.165600      0.6528000    
 H    5.186500      -2.264500      -1.187800    
 H    5.998400       1.921600     -0.6572000    
 H    6.637300     -0.2908000      -1.579900    
 H  -0.8555000      -5.130900     -0.9437000    


%chk=000052106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052106

0 1
O -2.717119 -1.376626 -0.281669
O 1.160017 0.699880 0.368076
O -4.510939 -0.432886 0.869744
O -0.181028 1.877720 1.915486
N -1.097893 0.670535 0.114737
C -3.177328 2.042824 -0.418477
C -2.495416 0.929626 0.463345
C -2.466489 3.397211 -0.208432
C -3.214154 1.655596 -1.914126
C -3.352667 -0.336392 0.408924
C -0.067103 1.149007 0.893613
C 2.366800 1.165183 1.129606
C 3.578196 0.541119 0.481935
C -3.525734 -2.636948 -0.409135
C 4.013566 -0.751984 0.867458
C 4.298343 1.238099 -0.520383
C 5.144715 -1.340262 0.260005
C 5.430878 0.653644 -1.130269
C 5.856352 -0.637680 -0.740798
C -2.811247 -3.555116 -1.293208
C -2.245075 -4.362696 -2.030754
H -4.217352 2.120341 -0.042623
H -2.509163 1.288895 1.510119
H -2.436883 3.682195 0.858083
H -2.991273 4.192748 -0.768450
H -1.424427 3.354960 -0.573617
H -3.716232 2.447463 -2.498478
H -3.761147 0.710993 -2.090736
H -2.190217 1.542277 -2.317007
H -0.880425 0.000614 -0.624536
H 2.391468 2.268770 1.089752
H 2.244641 0.858280 2.183509
H -3.658843 -3.062095 0.602287
H -4.524284 -2.374012 -0.803656
H 3.461785 -1.297685 1.642361
H 3.969011 2.239368 -0.823714
H 5.472832 -2.339695 0.566516
H 5.980726 1.202459 -1.902903
H 6.736458 -1.091257 -1.210500
H -1.743448 -5.062276 -2.674983


