%chk=000182516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182516

0 1
O -1.644200 0.773298 -0.051299
O 2.480256 0.440305 -0.500132
O -1.391264 -1.459109 -0.311479
O 4.674260 0.231917 0.016314
N 0.212300 3.309531 0.366888
N -4.387771 -1.649168 -0.217746
N 4.270098 -2.668494 0.105527
C 0.060231 2.316446 -0.754098
C 0.966549 2.495963 1.391549
C -0.185206 0.930918 -0.074778
C 0.322195 1.081660 1.368072
C 1.422084 2.290737 -1.479159
C 2.430530 2.451667 0.898020
C 2.572691 1.919178 -0.533224
C -1.100942 3.803941 0.867217
C -2.137395 -0.505002 -0.173914
C 3.591013 -0.288052 -0.173890
C -3.590995 -0.495124 -0.117899
C 3.263510 -1.706731 -0.103428
C -4.461415 0.606652 0.038270
C 2.032868 -2.380769 -0.198108
C -5.716406 -1.284739 -0.126658
C -5.779972 0.115500 0.032893
C -3.900697 -3.020159 -0.390607
C 3.681643 -3.920369 0.138968
C 2.296668 -3.761676 -0.046475
H -0.764221 2.587191 -1.445984
H 0.914253 2.960414 2.397624
H 0.265296 0.074276 -0.619016
H 1.046573 0.290178 1.621487
H -0.505787 1.002536 2.091363
H 1.389636 1.580261 -2.328323
H 1.620326 3.294775 -1.907879
H 2.848415 3.479675 0.934313
H 3.047758 1.843674 1.586705
H 3.567097 2.174166 -0.960787
H -0.942629 4.419517 1.765489
H -1.828001 3.009356 1.105443
H -1.543432 4.455960 0.096455
H -4.144812 1.628239 0.139746
H 5.245141 -2.448019 0.211451
H 1.067249 -1.921532 -0.353128
H -6.527483 -1.989403 -0.175360
H -6.677444 0.692753 0.131083
H -2.786040 -3.046087 -0.435292
H -4.212760 -3.661165 0.452576
H -4.279004 -3.459729 -1.330327
H 4.242370 -4.826994 0.285527
H 1.569165 -4.548560 -0.068590


%chk=000182516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182516

0 1
O -1.780729 0.867362 -0.104905
O 2.467420 0.367103 -0.524106
O -1.480438 -1.455480 -0.175247
O 4.784767 0.160770 -0.186852
N 0.233156 3.349191 0.446717
N -4.496089 -1.648938 -0.213744
N 4.426451 -2.672205 0.015670
C 0.062938 2.413919 -0.711675
C 0.996169 2.478379 1.405391
C -0.292218 1.020415 -0.096801
C 0.260182 1.091832 1.356507
C 1.424155 2.356354 -1.453843
C 2.459905 2.411106 0.903364
C 2.570776 1.871503 -0.542889
C -1.038899 3.883882 0.994123
C -2.255827 -0.453276 -0.148998
C 3.634468 -0.358675 -0.283255
C -3.716813 -0.472339 -0.163103
C 3.356595 -1.785766 -0.162714
C -4.605905 0.628041 -0.130637
C 2.165441 -2.545263 -0.162229
C -5.834178 -1.288444 -0.213011
C -5.934131 0.115795 -0.161794
C -4.020615 -3.045750 -0.264088
C 3.945540 -3.963954 0.124594
C 2.539680 -3.913533 0.017817
H -0.728851 2.768042 -1.393002
H 0.977097 2.923097 2.415722
H 0.131452 0.179396 -0.662258
H 0.917471 0.239392 1.586861
H -0.585369 1.082179 2.067181
H 1.367276 1.702327 -2.343044
H 1.659829 3.381453 -1.792233
H 2.867696 3.439115 0.914989
H 3.087195 1.795414 1.573759
H 3.561035 2.116080 -0.966889
H -0.809117 4.543378 1.850207
H -1.764530 3.108199 1.328106
H -1.530952 4.497529 0.218531
H -4.291083 1.668253 -0.090413
H 5.396740 -2.358316 0.057870
H 1.156081 -2.148298 -0.269786
H -6.614918 -2.046899 -0.248890
H -6.860094 0.687624 -0.149314
H -2.921822 -3.046825 -0.243514
H -4.404381 -3.608021 0.605189
H -4.369523 -3.532027 -1.192002
H 4.610141 -4.813803 0.266821
H 1.869124 -4.769514 0.067219


