%chk=000071058.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071058

0 1
 O   -3.739000       2.829700     -0.5091000    
 N    1.545300       1.144900      0.5852000    
 N   -2.582000      0.7673000     -0.2819000    
 C   -1.235900       1.282600     -0.3128000    
 C  -0.2573000      0.2343000     -0.8433000    
 C  -0.8019000       1.755400       1.074300    
 C    1.185100      0.7397000     -0.7806000    
 C   0.6588000       2.209700       1.074600    
 C    2.941800       1.577000      0.6391000    
 C   -2.751600     -0.6638000     -4.1000001E-02
 C   -3.729900       1.602500     -0.3846000    
 C    3.885000      0.4797000      0.2226000    
 C   -2.861000      -1.478700      -1.128200    
 C   -2.787700      -1.086000       1.254500    
 C   -5.059200      0.8829000     -0.3817000    
 C    4.384800     -0.3918000       1.180100    
 C    4.241600      0.3554000      -1.112900    
 C   -3.021900      -2.845100     -0.8981000    
 C   -2.948400      -2.452300       1.484600    
 C    5.259100      -1.408100      0.7944000    
 C    5.115700     -0.6609000      -1.498600    
 C   -3.065500      -3.331800      0.4084000    
 C    5.624400      -1.542600     -0.5450000    
 H   -1.228600       2.149400     -0.9869000    
 H  -0.4973000     -2.2200000E-02  -1.882400    
 H  -0.2823000     -0.6944000     -0.2602000    
 H  -0.9136000      0.9563000       1.815900    
 H   -1.441400       2.580400       1.411000    
 H    1.783000     -0.1066000      -1.128000    
 H    1.317400       1.567200      -1.489900    
 H   0.7617000       3.116100      0.4636000    
 H   0.9319000       2.477700       2.102600    
 H    3.198500       1.883800       1.662100    
 H    3.110800       2.464800      1.3400000E-02
 H   -2.831500      -1.100800      -2.144800    
 H   -2.716800     -0.4063000       2.096100    
 H   -5.208600      0.3388000      0.5538000    
 H   -5.137200      0.2097000      -1.238600    
 H   -5.865200       1.619700     -0.4648000    
 H    4.105400     -0.2974000       2.225700    
 H    3.867100       1.043900      -1.865200    
 H   -3.114300      -3.529700      -1.736100    
 H   -2.987100      -2.830900       2.501900    
 H    5.654900      -2.094900       1.536900    
 H    5.403100     -0.7636000      -2.540900    
 H   -3.192100      -4.395400      0.5876000    
 H    6.305600      -2.333400     -0.8453000    


%chk=000071058-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071058

0 1
O -3.440155 2.647683 -1.219618
N 1.609281 1.114170 0.415150
N -2.654344 0.666573 -0.263103
C -1.261536 1.211437 -0.207901
C -0.266289 0.390210 -1.060263
C -0.730824 1.339409 1.238947
C 1.140102 1.019047 -0.989819
C 0.689378 1.941990 1.232176
C 3.016735 1.567491 0.513828
C -2.913060 -0.673585 0.221462
C -3.674139 1.474216 -0.793082
C 4.019063 0.532130 0.009724
C -2.845310 -1.777930 -0.663981
C -3.240539 -0.890058 1.583442
C -5.076275 0.872158 -0.834311
C 3.817699 -0.848314 0.264114
C 5.190532 0.937184 -0.675714
C -3.103252 -3.084529 -0.192383
C -3.497130 -2.197324 2.053715
C 4.771195 -1.802081 -0.154231
C 6.149915 -0.014972 -1.091984
C -3.429549 -3.297565 1.167390
C 5.943469 -1.389081 -0.831645
H -1.354835 2.224582 -0.644554
H -0.604822 0.363201 -2.113431
H -0.210842 -0.649556 -0.686482
H -0.691546 0.343030 1.717950
H -1.404651 1.986643 1.831912
H 1.857606 0.400154 -1.557148
H 1.118663 2.032429 -1.471712
H 0.637483 2.995217 0.847846
H 1.081119 1.987553 2.265833
H 3.217293 1.768617 1.586068
H 3.187049 2.535265 -0.024972
H -2.594484 -1.603134 -1.715977
H -3.298247 -0.031935 2.261994
H -5.412091 0.545963 0.165564
H -5.115552 -0.012033 -1.495294
H -5.762169 1.640838 -1.219070
H 2.899874 -1.153447 0.779143
H 5.352253 2.001949 -0.887653
H -3.050042 -3.932747 -0.883801
H -3.751137 -2.356063 3.107631
H 4.602924 -2.866456 0.047528
H 7.051094 0.313829 -1.622266
H -3.630073 -4.310793 1.532567
H 6.683869 -2.129167 -1.156089


