%chk=000172804.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172804

0 1
 O   -1.055300      -1.010900      -1.449000    
 O    3.196000       2.370000      0.3182000    
 N   -2.513600      0.4249000     -0.3251000    
 N    2.653800      0.4931000     -0.9601000    
 C   -3.678800      0.4317000      -1.159400    
 C   -2.636100       1.467800      -1.300600    
 C   -1.126200      -1.064200      0.9404000    
 C    3.844500     -0.3025000     -0.9004000    
 C    3.608400      0.6305000      -2.020400    
 C  -0.6541000      0.1117000       1.833200    
 C   -1.544800     -0.5622000     -0.4151000    
 C   0.8168000      0.5785000       1.697100    
 C   -4.976500      0.7625000     -0.5255000    
 C   0.9841000       1.472200      0.4529000    
 C    2.399400       1.513100     -5.6800000E-02
 C    3.706400      -1.763200      -1.106300    
 C  -6.0199998E-02  -2.151100      0.7736000    
 C   -2.387500      -1.686600       1.564300    
 C    1.355400       1.279000       2.946800    
 C   -5.920500     -0.4341000     -0.4707000    
 C    3.988900      -2.560100      0.1629000    
 H   -3.730900     -0.3381000      -1.918600    
 H   -2.780800       2.443400     -0.8593000    
 H   -1.945900       1.412100      -2.130400    
 H    4.574500     -1.9500000E-02 -0.1532000    
 H    3.246000      0.2560000      -2.966900    
 H    4.144200       1.568800      -2.046400    
 H   -1.314200      0.9847000       1.756400    
 H  -0.7660000     -0.2264000       2.874200    
 H    1.458700     -0.3011000       1.583200    
 H   -5.462800       1.556800      -1.104400    
 H   -4.836100       1.153300      0.4899000    
 H   0.6625000       2.498900      0.6667000    
 H   0.3585000       1.128500     -0.3741000    
 H    2.707400      -2.022000      -1.477800    
 H    4.419400      -2.082100      -1.876100    
 H   0.3218000      -2.482800       1.745500    
 H   0.7864000      -1.814300      0.1675000    
 H  -0.4714000      -3.033200      0.2673000    
 H   -2.142900      -2.212100       2.494900    
 H   -3.146100     -0.9347000       1.810800    
 H   -2.853800      -2.413400      0.8881000    
 H    2.410400       1.546300       2.832800    
 H    1.273400      0.6247000       3.821300    
 H   0.7914000       2.193900       3.157200    
 H   -5.477500      -1.252400      0.1062000    
 H   -6.866900     -0.1521000      6.0000003E-04
 H   -6.136400     -0.8099000      -1.476300    
 H    3.300300      -2.273600      0.9644000    
 H    3.872800      -3.631800     -2.5599999E-02
 H    5.009400      -2.382700      0.5180000    


%chk=000172804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172804

0 1
O -0.578694 -1.674799 -1.552252
O 2.355463 2.888399 0.718212
N -2.206694 -0.119784 -1.014884
N 3.185971 1.063489 -0.457632
C -3.697280 0.032642 -1.110308
C -2.801431 0.065076 -2.355552
C -1.229583 -1.530146 0.836492
C 3.905217 -0.232431 -0.281524
C 4.636545 1.122416 -0.204383
C -0.909560 -0.278597 1.725895
C -1.325160 -1.156602 -0.665895
C 0.517135 0.343638 1.691237
C -4.349861 1.299806 -0.575459
C 0.826649 1.000228 0.306054
C 2.170586 1.725063 0.247706
C 4.074081 -1.155282 -1.480999
C -0.155050 -2.629863 1.012841
C -2.604697 -2.104816 1.299940
C 0.628489 1.361504 2.853649
C -4.757525 1.220745 0.912126
C 2.950791 -2.206479 -1.616642
H -4.273942 -0.893017 -0.964743
H -2.602479 1.028592 -2.838446
H -2.786989 -0.804122 -3.024195
H 3.742098 -0.739488 0.682639
H 5.262871 1.429604 -1.049740
H 4.955746 1.501161 0.774581
H -1.638880 0.520913 1.486676
H -1.106626 -0.585969 2.774624
H 1.258434 -0.463274 1.868828
H -5.248377 1.498164 -1.194627
H -3.657452 2.147933 -0.734206
H 0.040163 1.749636 0.098312
H 0.791677 0.239611 -0.490851
H 4.125929 -0.533464 -2.394881
H 5.053563 -1.666327 -1.380506
H -0.016880 -2.845898 2.088927
H 0.812297 -2.329541 0.580325
H -0.459297 -3.560290 0.502309
H -2.501647 -2.518200 2.320207
H -3.388728 -1.329302 1.330319
H -2.940946 -2.924487 0.637737
H 1.620251 1.840806 2.889021
H 0.442581 0.861961 3.823404
H -0.116164 2.171328 2.735418
H -3.874823 1.082975 1.561751
H -5.264715 2.149950 1.227817
H -5.452938 0.380008 1.095565
H 1.957663 -1.742469 -1.747167
H 3.131763 -2.858980 -2.490046
H 2.905956 -2.856721 -0.721777


