%chk=000297086.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297086

0 1
O 0.423977 -2.463635 0.037369
O 0.729353 1.034176 0.624425
O 2.535157 -3.124020 -0.429936
O 7.133156 1.375993 -0.483758
N -2.931454 -0.165396 0.945337
N 2.027986 -0.838012 0.061238
C -0.297712 -1.212838 0.363036
C -1.316417 -0.984309 -0.747984
C -0.942893 -1.418075 1.729452
C -2.273947 0.154842 -0.365187
C -1.907357 -0.262028 2.039366
C 0.820362 -0.140014 0.382816
C -3.963110 0.868856 1.294489
C 1.780053 -2.240291 -0.144925
C -5.108089 0.832679 0.309498
C 3.339106 -0.236917 -0.052703
C -5.577138 2.024333 -0.261780
C -5.725611 -0.385076 -0.014600
C 3.610335 0.968870 0.610375
C 4.331826 -0.868637 -0.834054
C 4.872523 1.558465 0.497608
C 5.587870 -0.292645 -0.945956
C -6.659568 1.995918 -1.146406
C -6.803846 -0.407815 -0.901786
C 5.849577 0.924011 -0.277263
C -7.274263 0.782210 -1.467854
C 7.523916 2.616076 0.153991
H -1.888687 -1.927886 -0.901650
H -0.824784 -0.771527 -1.715511
H -0.184474 -1.519549 2.527699
H -1.497339 -2.384550 1.714698
H -1.724666 1.123405 -0.350497
H -3.070583 0.241043 -1.138996
H -2.435934 -0.473970 2.994341
H -1.331127 0.680941 2.181488
H -3.537049 1.894362 1.369843
H -4.365498 0.621083 2.306272
H -5.104367 2.973756 -0.020053
H -5.348682 -1.310707 0.423000
H 2.839175 1.464768 1.207027
H 4.123388 -1.815818 -1.341865
H 5.071712 2.494747 1.009927
H 6.375500 -0.758396 -1.537061
H -7.023209 2.923016 -1.586156
H -7.279792 -1.354434 -1.152465
H -8.116150 0.762553 -2.156555
H 7.470366 2.518013 1.241908
H 6.910730 3.443358 -0.214429
H 8.564977 2.719472 -0.180272


%chk=000297086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297086

0 1
O 0.436306 -2.477412 0.097532
O 0.779264 1.096855 0.486254
O 2.629305 -3.176385 -0.272959
O 7.251346 1.357642 -0.519196
N -2.910008 0.012976 0.874139
N 2.072281 -0.865059 0.068165
C -0.264415 -1.167673 0.355540
C -1.305145 -0.950860 -0.764844
C -0.956323 -1.259709 1.733728
C -2.253178 0.222792 -0.441236
C -1.911115 -0.070364 1.968085
C 0.881153 -0.143196 0.320842
C -3.965225 1.018856 1.148088
C 1.812838 -2.270909 -0.059448
C -5.185815 0.864945 0.244464
C 3.389572 -0.286718 -0.055550
C -5.881460 2.005480 -0.226051
C -5.670776 -0.422980 -0.097475
C 3.752497 0.816901 0.748398
C 4.314565 -0.814148 -0.993779
C 5.031248 1.399120 0.621091
C 5.590670 -0.242640 -1.114427
C -7.046373 1.865561 -1.015700
C -6.830641 -0.566134 -0.889991
C 5.956384 0.867166 -0.311070
C -7.525261 0.578143 -1.350018
C 7.684064 2.497878 0.293844
H -1.891397 -1.884155 -0.844951
H -0.799697 -0.777776 -1.732351
H -0.203386 -1.312752 2.541386
H -1.536192 -2.200330 1.741078
H -1.687548 1.185271 -0.464604
H -3.035557 0.273259 -1.218537
H -2.447779 -0.231059 2.921606
H -1.320292 0.872460 2.065255
H -3.577579 2.066091 1.069192
H -4.277749 0.878740 2.202944
H -5.509465 3.007480 0.023550
H -5.117505 -1.299756 0.257574
H 3.037807 1.235959 1.460106
H 4.046548 -1.676996 -1.607715
H 5.287845 2.255710 1.250649
H 6.320558 -0.639587 -1.825695
H -7.573984 2.757204 -1.373258
H -7.194739 -1.567268 -1.148475
H -8.425923 0.467386 -1.964463
H 7.674746 2.248368 1.372631
H 7.048730 3.386195 0.111176
H 8.714099 2.705833 -0.030020


