%chk=000277986.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277986

0 1
O 4.719884 -0.410691 -1.195760
O 2.808399 2.219191 0.210617
O 6.070046 2.355682 0.321235
O 6.825995 -0.933322 1.734056
O -3.200217 -0.363902 0.059696
N 2.429341 -0.327102 -0.693015
N 1.260746 -2.039903 0.241453
N 0.634764 1.257785 -1.279473
N -1.455776 -2.004109 1.243781
N -1.865009 -0.209010 -0.339870
C 3.939756 1.739795 -0.508293
C 5.086777 1.326917 0.446956
C 3.558599 0.430042 -1.266521
C 5.621177 -0.004482 -0.124615
C 5.683184 -1.144929 0.900688
C 1.072359 0.075463 -0.660898
C 2.478172 -1.641294 -0.133049
C 0.369373 -0.990649 -0.059499
C -1.058311 -1.080815 0.252280
C -4.042616 0.217966 -0.998692
C -5.420809 0.252957 -0.400486
C -6.541234 0.105232 -1.231564
C -5.592639 0.452913 0.976776
C -7.825494 0.164612 -0.683736
C -6.879121 0.503923 1.519224
C -7.996822 0.362782 0.690347
H 4.285376 2.527950 -1.219339
H 4.751709 1.251733 1.503854
H 3.384363 0.589510 -2.361997
H 6.599284 0.138869 -0.638925
H 5.727405 -2.130366 0.403123
H 4.833696 -1.135036 1.613358
H 3.041179 3.055410 0.680206
H 6.765393 2.247255 1.009959
H 3.394030 -2.207050 -0.078135
H 7.638268 -1.267179 1.297828
H 1.124964 2.097592 -0.963162
H -0.382182 1.384924 -1.213490
H -2.428895 -2.286947 1.214501
H -0.817340 -2.769163 1.432523
H -3.965632 -0.428378 -1.889877
H -3.674752 1.232011 -1.242809
H -6.415222 -0.055445 -2.300136
H -4.713467 0.559313 1.615912
H -8.694795 0.053427 -1.329293
H -7.010016 0.655254 2.589294
H -8.997989 0.405864 1.113566


%chk=000277986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277986

0 1
O 4.737724 -0.658211 -1.152997
O 2.912030 2.423932 -0.324750
O 5.782277 2.279328 0.821287
O 7.116779 -0.294380 1.748008
O -3.265254 -0.443660 -0.025480
N 2.426307 -0.425037 -0.531937
N 1.226247 -2.058230 0.502411
N 0.620424 1.071958 -1.305925
N -1.580846 -2.193460 0.932625
N -1.837844 -0.178216 -0.375773
C 4.019418 1.569865 -0.713887
C 4.946834 1.153060 0.434360
C 3.543659 0.197706 -1.270343
C 5.714572 -0.020143 -0.209306
C 6.227474 -1.034308 0.818325
C 1.075897 -0.046325 -0.631839
C 2.458017 -1.659454 0.163565
C 0.352000 -1.064581 0.017056
C -1.094045 -1.139402 0.193728
C -4.085567 0.503956 -0.794326
C -5.513180 0.408402 -0.293794
C -6.591859 0.350848 -1.209711
C -5.790678 0.407076 1.097665
C -7.927785 0.310299 -0.747680
C -7.123501 0.356323 1.560968
C -8.197448 0.312463 0.639915
H 4.635308 2.063980 -1.495165
H 4.339249 0.793312 1.291252
H 3.265382 0.256195 -2.337483
H 6.557716 0.380520 -0.808123
H 6.751347 -1.881101 0.337075
H 5.400076 -1.422838 1.434314
H 3.272028 3.187397 0.193081
H 6.397613 1.948611 1.528407
H 3.380299 -2.202535 0.333908
H 8.053740 -0.364399 1.439464
H 1.173540 1.929654 -1.208456
H -0.406635 1.135338 -1.301532
H -2.584635 -2.299797 1.047331
H -0.912612 -2.874366 1.288847
H -4.022643 0.267364 -1.875302
H -3.670783 1.521839 -0.640122
H -6.387642 0.335108 -2.287509
H -4.955238 0.433894 1.805543
H -8.753301 0.268629 -1.467393
H -7.326691 0.352115 2.638122
H -9.231872 0.275869 1.000179


