%chk=000110812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110812

0 1
 O   -2.675200     -0.5138000      -2.045200    
 O   5.6499999E-02 -5.7999998E-02  -2.481600    
 N    1.263900      3.9200000E-02 -0.4987000    
 N   -4.220700      0.4560000      0.2200000    
 N   -1.009800     -0.3246000     -0.4254000    
 C    2.559800      0.2725000      -1.077200    
 C    2.894400       1.773700      -1.169900    
 C    3.608200       2.150700      0.1395000    
 C    3.660900     -0.2138000     -0.1841000    
 C    4.258300      0.8524000      0.5004000    
 C   -3.301500     -0.6804000      0.2895000    
 C    4.081100      -1.518000      2.2100000E-02
 C    5.279800      0.6354000       1.409800    
 C   -4.101900      -1.984900      0.1953000    
 C   -2.320900     -0.5127000     -0.8682000    
 C   -5.241300      0.3513000       1.261700    
 C   -3.487000       1.714300      0.3470000    
 C   0.1018000     -0.1086000      -1.253600    
 C    5.119100      -1.744400      0.9282000    
 C    5.713700     -0.6756000       1.617500    
 C   -3.202800      -3.215000      0.2097000    
 C   -4.618800      0.3961000       2.646800    
 C   -4.417700       2.908100      0.2166000    
 H    2.613100     -0.1870000      -2.070300    
 H    3.594300       1.929900      -2.003400    
 H    2.021000       2.406800      -1.358900    
 H    4.333900       2.953200     -1.9300001E-02
 H    2.889600       2.440600      0.9129000    
 H   -2.729400     -0.6903000       1.224400    
 H    1.180900      2.0000000E-02  0.5136000    
 H    3.617500      -2.346500     -0.5027000    
 H    5.734500       1.458400       1.950400    
 H   -4.711100      -2.006700     -0.7170000    
 H   -4.771000      -2.125400       1.048900    
 H   -5.968200       1.166900       1.172000    
 H   -5.885600     -0.5251000       1.147000    
 H   -2.875500       1.793400       1.252500    
 H   -2.786800       1.826100     -0.4893000    
 H    5.467900      -2.758100       1.106400    
 H    6.516400     -0.8725000       2.323100    
 H  -0.8297000     -0.3382000      0.5744000    
 H   -2.576400      -3.233300       1.107500    
 H   -3.810200      -4.125900      0.2025000    
 H   -2.549700      -3.246000     -0.6678000    
 H   -3.961700     -0.4491000       2.865900    
 H   -4.095000       1.328400       2.871700    
 H   -5.428500      0.3339000       3.385000    
 H   -5.092600       2.806700     -0.6405000    
 H   -5.011600       3.079400       1.119300    
 H   -3.826800       3.817300      5.6699999E-02


%chk=000110812-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110812

0 1
O -2.563673 0.241526 -1.945771
O 0.234089 -0.777545 -2.358845
N 1.353779 -0.118205 -0.418968
N -4.231655 0.626902 0.524622
N -0.973391 -0.400720 -0.337426
C 2.700254 -0.218155 -1.032995
C 3.118297 1.048749 -1.853763
C 3.939894 1.942009 -0.873771
C 3.764546 -0.286615 0.058179
C 4.462427 0.945024 0.154345
C -3.375630 -0.551604 0.254625
C 4.064989 -1.360738 0.920786
C 5.479531 1.108199 1.118342
C -4.161463 -1.764531 -0.317806
C -2.290224 -0.178780 -0.798468
C -5.480745 0.358371 1.279031
C -3.442903 1.787942 1.013824
C 0.215120 -0.438706 -1.148267
C 5.088447 -1.197690 1.885720
C 5.790104 0.029568 1.982248
C -3.254097 -2.962916 -0.674829
C -5.311679 -0.133336 2.744430
C -4.247234 3.098328 1.092049
H 2.671808 -1.110112 -1.682574
H 3.766782 0.723183 -2.687462
H 2.241332 1.553166 -2.290476
H 4.751494 2.488738 -1.386495
H 3.300594 2.705881 -0.387167
H -2.843949 -0.899698 1.187382
H 1.275019 0.340789 0.491013
H 3.523366 -2.310354 0.840175
H 6.028755 2.053647 1.197592
H -4.699990 -1.413711 -1.217526
H -4.913907 -2.096812 0.421058
H -6.073905 1.289649 1.276833
H -6.079427 -0.373639 0.710188
H -2.966680 1.583699 2.009853
H -2.616574 1.942935 0.295352
H 5.345603 -2.024820 2.556800
H 6.583981 0.141535 2.729656
H -0.874999 -0.642742 0.652665
H -2.669111 -3.304486 0.201155
H -3.866469 -3.815348 -1.019373
H -2.546242 -2.712172 -1.484296
H -4.778916 -1.101225 2.793806
H -4.750239 0.597176 3.355530
H -6.303260 -0.273112 3.213538
H -4.761397 3.283897 0.132666
H -5.000491 3.089839 1.899876
H -3.562762 3.943821 1.288135


