%chk=000294930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294930

0 1
O -5.012242 -1.173668 0.103773
O -1.403002 -3.899258 0.149867
O -3.659176 -0.974966 -1.698927
O 2.830705 -1.234332 1.269948
O -2.058142 4.859074 -0.556970
O 1.187419 -0.275169 -0.024668
N -1.412784 -1.629011 -0.100033
N 1.578131 -2.572696 -0.035066
C -2.718353 -1.455471 0.556721
C -2.679796 -0.326731 1.606233
C -2.530361 1.047634 1.016419
C 0.508982 -2.892710 -1.011342
C -0.856706 -2.893878 -0.266070
C -3.778391 -1.165732 -0.516942
C -3.672672 1.808702 0.727726
C -1.253560 1.581261 0.760826
C 0.753318 -4.261142 -1.631084
C -3.559005 3.095740 0.197540
C -1.112243 2.859998 0.231508
C -2.274332 3.602154 -0.041581
C 1.802121 -1.261658 0.350611
C 3.297638 0.093245 1.686172
C 4.287064 0.618618 0.687198
C -6.170145 -0.956671 -0.745305
C 5.663079 0.469528 0.910278
C 3.831999 1.263974 -0.472601
C 6.578366 0.975319 -0.017591
C 4.750472 1.765694 -1.397444
C 6.123743 1.624466 -1.169860
H -3.007556 -2.428052 1.063873
H -1.855701 -0.530594 2.323696
H -3.613707 -0.385364 2.209773
H -0.936002 -0.776497 -0.422984
H 0.500806 -2.101407 -1.814589
H -4.663707 1.389685 0.912311
H -0.356557 0.986894 0.966676
H 0.622952 -5.074508 -0.899102
H 0.027022 -4.459597 -2.433630
H 1.756218 -4.344416 -2.067068
H 2.096057 -3.338696 0.391757
H -4.444058 3.681411 -0.024711
H -0.134820 3.288513 0.020944
H 2.423225 0.759331 1.814829
H 3.742518 -0.151413 2.669895
H -6.264982 -1.792588 -1.445805
H -6.062496 -0.010624 -1.285323
H -6.994480 -0.931390 -0.025596
H 6.022296 -0.042178 1.801652
H 2.756945 1.360897 -0.653485
H -2.903340 5.332195 -0.749114
H 7.646850 0.861293 0.157292
H 4.395399 2.266866 -2.296918
H 6.838289 2.018424 -1.890811


%chk=000294930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294930

0 1
O -5.136633 -1.325203 0.438154
O -1.405313 -3.886013 0.102667
O -3.920009 -1.330353 -1.548115
O 2.946039 -1.333093 1.144076
O -2.448747 4.942848 -0.957211
O 1.266383 -0.184160 -0.061398
N -1.500827 -1.563639 -0.096046
N 1.539583 -2.506199 -0.202558
C -2.744543 -1.424087 0.655248
C -2.707081 -0.208779 1.639991
C -2.646813 1.155248 0.963616
C 0.408552 -2.727235 -1.130092
C -0.923478 -2.793851 -0.327438
C -3.950173 -1.349379 -0.301867
C -3.836280 1.888050 0.720069
C -1.411014 1.727457 0.553290
C 0.622521 -4.017303 -1.933202
C -3.805127 3.148132 0.084549
C -1.364385 2.982672 -0.085553
C -2.563257 3.692509 -0.321415
C 1.863285 -1.256180 0.257586
C 3.472773 -0.018094 1.651241
C 4.573816 0.520600 0.764149
C -6.384941 -1.293207 -0.362755
C 5.933259 0.252546 1.064600
C 4.258244 1.300691 -0.379140
C 6.963538 0.751183 0.236372
C 5.287140 1.798215 -1.208427
C 6.641639 1.525627 -0.902471
H -2.868690 -2.352568 1.245439
H -1.827130 -0.358609 2.292562
H -3.609964 -0.278398 2.270698
H -1.035572 -0.721995 -0.450624
H 0.373524 -1.852710 -1.805347
H -4.798593 1.470208 1.039092
H -0.469423 1.194564 0.733719
H 0.566394 -4.897732 -1.269488
H -0.174045 -4.127791 -2.687681
H 1.597994 -3.995645 -2.449451
H 2.051166 -3.310080 0.165135
H -4.737808 3.701504 -0.088369
H -0.414936 3.423332 -0.403155
H 2.621584 0.681276 1.717925
H 3.842338 -0.273706 2.656576
H -6.444436 -2.186734 -1.006265
H -6.408599 -0.389946 -0.995593
H -7.195671 -1.284107 0.379073
H 6.183784 -0.349120 1.947127
H 3.206615 1.499705 -0.615142
H -3.339190 5.354263 -1.086077
H 8.011221 0.540387 0.478224
H 5.035091 2.399991 -2.088700
H 7.439493 1.915406 -1.544700


