%chk=000163461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163461

0 1
 O   -2.798000       1.741800       1.289000    
 O  -0.2731000      -1.856300       2.439800    
 O    2.733300       3.040600      0.6625000    
 N   -1.563500     -0.6973000     -0.8722000    
 N    3.231000      -2.207600      -1.002600    
 C   -3.781400     -0.2823000      0.4090000    
 C   -3.091400       1.062600      6.2700003E-02
 C   -1.529900      -1.407800      0.4336000    
 C   -2.799400      -1.113500       1.263200    
 C   -1.766900      0.7607000     -0.6785000    
 C   -4.033100      -1.080800     -0.8809000    
 C   -2.711000      -1.219300      -1.654000    
 C   -3.996300       1.991900     -0.7524000    
 C  -0.2535000      -1.113100       1.225200    
 C   -3.304300       3.305200      -1.053600    
 C   0.9866000      -1.462400      0.4416000    
 C    1.964700     -0.5113000      0.1491000    
 C    1.119200      -2.772600      2.2000000E-02
 C    3.090600     -0.9342000     -0.5881000    
 C    1.850900      0.8257000      0.5662000    
 C    2.255100      -3.092000     -0.6939000    
 C    4.071700      8.2999999E-03 -0.8838000    
 C    2.847000       1.747300      0.2567000    
 C    3.958700       1.337800     -0.4694000    
 C    3.793100       3.928600      0.3089000    
 H   -4.710300     -0.1252000      0.9687000    
 H   -1.557300      -2.487400      0.2295000    
 H   -2.571200     -0.5822000       2.194300    
 H   -3.276300      -2.058600       1.553200    
 H   -1.749800       1.201200      -1.681400    
 H  -0.9157000       1.208300     -0.1597000    
 H   -4.793700     -0.6023000      -1.506000    
 H   -4.419000      -2.076500     -0.6287000    
 H   -2.537600      -2.271500      -1.912500    
 H   -2.778700     -0.6920000      -2.613900    
 H   -4.912900       2.206300     -0.1890000    
 H   -4.296000       1.535800      -1.701300    
 H  -0.2937000     -7.8699999E-02   1.556400    
 H   -3.635400       1.877400       1.764600    
 H   -2.976000       3.815700     -0.1427000    
 H   -2.441700       3.195600      -1.715500    
 H   -4.005600       3.976800      -1.561800    
 H   0.6021000      -1.778600       2.856800    
 H   0.3913000      -3.543300      0.2463000    
 H    1.020700       1.209100       1.145700    
 H    2.422800      -4.103700      -1.048700    
 H    4.952000     -0.2886000      -1.451300    
 H    4.774400       1.996000     -0.7485000    
 H    3.537400       4.913900      0.7119000    
 H    3.879100       4.039400     -0.7774000    
 H    4.739700       3.629200      0.7714000    


%chk=000163461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163461

0 1
O -2.752542 1.681917 1.421745
O -0.512243 -2.159864 2.426534
O 2.644141 3.073229 0.439488
N -1.505563 -0.636374 -0.855411
N 3.392761 -2.358801 -0.841890
C -3.800639 -0.289640 0.299892
C -3.110222 1.097853 0.096846
C -1.553217 -1.444789 0.406851
C -2.890083 -1.182043 1.186320
C -1.739203 0.816854 -0.606787
C -4.001801 -1.001594 -1.070447
C -2.591302 -1.135681 -1.757086
C -4.006888 2.105770 -0.665835
C -0.299788 -1.226456 1.291468
C -3.385579 3.511486 -0.815631
C 1.001212 -1.557277 0.566214
C 1.981864 -0.562628 0.190779
C 1.271349 -2.895022 0.251662
C 3.163154 -1.025809 -0.523996
C 1.870689 0.829656 0.487948
C 2.464114 -3.250872 -0.447374
C 4.153083 -0.076575 -0.925073
C 2.864654 1.731942 0.085869
C 4.018445 1.280964 -0.634957
C 3.643084 4.064840 0.033116
H -4.781330 -0.141302 0.795841
H -1.513942 -2.504593 0.088575
H -2.683236 -0.681781 2.146422
H -3.400496 -2.134805 1.414186
H -1.689621 1.324595 -1.586096
H -0.931841 1.231122 0.016787
H -4.710702 -0.448941 -1.713283
H -4.446740 -1.997590 -0.885748
H -2.371287 -2.186736 -2.015649
H -2.546367 -0.546962 -2.691505
H -4.979375 2.188045 -0.133084
H -4.238944 1.699032 -1.669305
H -0.295165 -0.189522 1.679368
H -3.590158 1.855275 1.925156
H -3.119842 3.929381 0.170663
H -2.462238 3.486126 -1.423013
H -4.092936 4.201215 -1.311112
H 0.288975 -2.130528 3.008574
H 0.562840 -3.675255 0.547344
H 1.019652 1.233572 1.042806
H 2.663516 -4.300103 -0.696787
H 5.022745 -0.462101 -1.465835
H 4.792714 1.985129 -0.952894
H 3.258926 5.024540 0.408777
H 3.743445 4.110720 -1.068692
H 4.630627 3.856483 0.488760


