%chk=000174638.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174638

0 1
 O   -6.763700     -0.3881000     -3.2200001E-02
 O   -5.512600       1.525000      3.7400000E-02
 N   0.9048000      0.4640000     -2.0900000E-02
 N  -3.3000000E-03  -2.216600     -5.7000000E-02
 N   -2.746500      0.9538000      3.2499999E-02
 N  -0.9560000       2.503800      6.6699997E-02
 N   -4.525400     -0.6002000     -2.7300000E-02
 C    3.230100     -0.1746000      2.6100000E-02
 C    5.521500     -0.8425000      0.8482000    
 C    4.961800       1.594700      0.5187000    
 C    5.237600      8.2599998E-02  -1.481500    
 C    4.020100      -1.176100      0.8922000    
 C    3.462600       1.251400      0.5641000    
 C    3.737000     -0.2547000      -1.427200    
 C    5.738100      0.5844000       1.381200    
 C    6.013100     -0.9189000     -0.6079000    
 C    5.456400       1.504400     -0.9355000    
 C    1.761000     -0.5074000      5.9000000E-02
 C    1.386000      -1.961500      0.2457000    
 C  -0.4607000      0.1465000      1.2300000E-02
 C  -0.9138000      -1.175700     -1.6700000E-02
 C   -1.411200       1.160800      3.7900001E-02
 C   -2.288300      -1.417300     -4.1600000E-02
 C   -3.151200     -0.3330000     -1.0700000E-02
 C   -5.581500      0.3027000     -3.5000001E-03
 C   -7.956300      0.4051000     -1.1700000E-02
 C   -9.159600     -0.5126000     -4.8099998E-02
 H    6.078600      -1.556200       1.465400    
 H    5.121700       2.608600      0.9022000    
 H    5.593000      2.4499999E-02  -2.516300    
 H    3.903300      -2.208700      0.5441000    
 H    3.666900      -1.149900       1.931500    
 H    3.092200       1.339400       1.594100    
 H    2.914700       1.995400     -2.9200001E-02
 H    3.176100      0.4390000      -2.067400    
 H    3.567500      -1.257100      -1.841300    
 H    5.405300      0.6490000       2.424400    
 H    6.807500      0.8288000       1.372300    
 H    7.087200     -0.7004000     -0.6520000    
 H    5.879100      -1.936100     -0.9958000    
 H    4.921400       2.231200      -1.558900    
 H    6.520900       1.764500     -0.9854000    
 H    1.993400      -2.589400     -0.4120000    
 H    1.576200      -2.244300       1.286100    
 H  -0.3426000      -3.171100     -4.9500000E-02
 H   -2.664900      -2.436000     -7.8299999E-02
 H  -5.1700000E-02   2.712200     -0.3384000    
 H   -1.661400       3.229800      7.3899999E-02
 H   -4.789300      -1.582100     -6.0800001E-02
 H   -7.977800       1.007600      0.9032000    
 H   -7.969000       1.067000     -0.8848000    
 H   -10.09010      6.1700001E-02 -3.3599999E-02
 H   -9.142200      -1.135300     -0.9487000    
 H   -9.150800      -1.193700      0.8094000    


%chk=000174638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174638

0 1
O -6.826182 -0.379633 -0.231991
O -5.698977 1.581645 0.439037
N 0.896169 0.478077 0.408925
N 0.011289 -2.130641 -0.135773
N -2.797519 0.976684 0.496733
N -1.033719 2.449552 0.952746
N -4.593827 -0.494832 -0.032978
C 3.272467 -0.151265 0.131158
C 5.672772 -0.702847 0.831608
C 5.071026 1.661583 0.150775
C 5.168484 -0.171295 -1.595954
C 4.170849 -1.009573 1.082921
C 3.569281 1.353871 0.393103
C 3.666119 -0.476521 -1.353336
C 5.944419 0.801470 1.103276
C 6.033110 -1.037364 -0.640833
C 5.438651 1.332657 -1.321102
C 1.793283 -0.479128 0.319290
C 1.378195 -1.962793 0.389642
C -0.478118 0.149584 0.428399
C -0.950631 -1.152805 0.082480
C -1.449196 1.180469 0.627099
C -2.340763 -1.371153 -0.077476
C -3.206701 -0.265153 0.141724
C -5.667910 0.382103 0.103363
C -8.107808 0.368153 -0.156556
C -9.207379 -0.600380 -0.583855
H 6.286805 -1.322559 1.515114
H 5.254689 2.736518 0.347043
H 5.420230 -0.410442 -2.648416
H 3.988244 -2.091359 0.922560
H 3.909734 -0.785619 2.136887
H 3.284256 1.607453 1.432979
H 2.934076 1.972460 -0.267099
H 3.036930 0.131131 -2.032382
H 3.462606 -1.542754 -1.581509
H 5.710375 1.045606 2.159080
H 7.018283 1.027660 0.945268
H 7.109067 -0.841578 -0.820410
H 5.859515 -2.114590 -0.840718
H 4.837536 1.957980 -2.011163
H 6.505746 1.567432 -1.508579
H 2.071137 -2.585905 -0.203243
H 1.457474 -2.306421 1.449695
H -0.284171 -3.058136 -0.437815
H -2.732719 -2.356574 -0.353046
H -0.033462 2.636279 0.992379
H -1.730277 3.184599 1.043162
H -4.866632 -1.436735 -0.320144
H -8.246457 0.730392 0.878770
H -8.043568 1.249453 -0.820865
H -10.188683 -0.092891 -0.547914
H -9.038448 -0.957340 -1.614508
H -9.244468 -1.476126 0.086848


