%chk=000207194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207194

0 1
O 6.272666 -1.904837 -0.143333
O 1.212521 3.274487 -0.053722
O -6.592978 -1.132655 -0.206597
N 3.876992 -0.265973 -0.058014
N 0.365963 1.106915 0.409672
N -0.609873 0.143999 0.461579
C 2.563061 0.276609 -0.458743
C 3.835986 -1.708835 0.292893
C 4.955261 -0.001873 -1.045696
C 1.721139 0.645613 0.789147
C 5.202961 -2.157515 0.835790
C 6.305342 -0.470471 -0.478773
C 0.201875 2.467127 -0.013488
C -1.180505 2.816461 -0.378898
C -1.864480 0.494569 0.101394
C -2.163428 1.842865 -0.321968
C -2.890429 -0.584301 0.174001
C -1.422413 4.237187 -0.812920
C -4.265936 -0.311934 -0.059616
C -2.502265 -1.916578 0.484010
C -5.221091 -1.351864 0.014203
C -3.467475 -2.941770 0.554104
C -4.833125 -2.674888 0.320080
H 1.983021 -0.438841 -1.092282
H 2.721228 1.197452 -1.047578
H 3.571734 -2.332896 -0.598241
H 3.064533 -1.881692 1.066442
H 4.998544 1.084741 -1.246941
H 4.766124 -0.528329 -2.014935
H 2.228911 1.459743 1.329230
H 1.585506 -0.223456 1.450525
H 5.423214 -1.614901 1.780449
H 5.221267 -3.244794 1.018163
H 7.110745 -0.360137 -1.223528
H 6.550367 0.120450 0.430030
H -3.184325 2.106125 -0.614477
H -0.797405 4.485199 -1.690696
H -1.112433 4.940229 -0.017812
H -2.481897 4.414574 -1.061208
H -4.607951 0.704644 -0.289645
H -1.445529 -2.125808 0.666190
H -3.155152 -3.964227 0.792490
H -5.595254 -3.457579 0.369691
H -6.773817 -0.181538 -0.410274


%chk=000207194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207194

0 1
O 6.300946 -1.872867 -0.064116
O 1.193215 3.231434 -0.092009
O -6.635877 -1.039945 0.221876
N 3.887050 -0.259302 -0.027249
N 0.357512 1.086044 0.376363
N -0.620306 0.123985 0.432466
C 2.573674 0.265713 -0.451989
C 3.856540 -1.699165 0.336375
C 4.976476 0.008175 -1.001510
C 1.708016 0.632211 0.780078
C 5.220397 -2.128247 0.902345
C 6.323251 -0.441164 -0.411701
C 0.196648 2.438726 -0.059024
C -1.176251 2.787871 -0.449794
C -1.869660 0.476298 0.055651
C -2.162486 1.817358 -0.391972
C -2.902508 -0.593928 0.127149
C -1.404824 4.200807 -0.915440
C -4.287124 -0.273428 0.136805
C -2.513931 -1.959103 0.192343
C -5.254200 -1.302457 0.203444
C -3.491728 -2.973422 0.258674
C -4.867332 -2.659922 0.261915
H 2.012295 -0.459729 -1.091191
H 2.730754 1.185355 -1.042889
H 3.611759 -2.334275 -0.552612
H 3.076133 -1.873358 1.100553
H 5.011036 1.093500 -1.211165
H 4.806758 -0.528049 -1.969039
H 2.203036 1.449751 1.327021
H 1.564351 -0.235932 1.441066
H 5.421755 -1.574969 1.845055
H 5.247669 -3.213583 1.094886
H 7.137850 -0.328689 -1.146054
H 6.549351 0.160106 0.495237
H -3.177154 2.065864 -0.718703
H -0.751855 4.434409 -1.776400
H -1.120829 4.917381 -0.122680
H -2.456062 4.373004 -1.200123
H -4.619463 0.772518 0.121791
H -1.448716 -2.203570 0.189453
H -3.181728 -4.023007 0.303643
H -5.638841 -3.433426 0.310976
H -6.814401 -0.067675 0.181196


